ライフサイエンスコーパス: substituent

1 w opposite rotation with respect to a methyl substituent.

2 nts accommodation of the additional triester substituent.

3 he acetylene C-atom proximal to the steering substituent.

4 etone or aldehyde with an ortho-boronic acid substituent.

5 eroaryl, an alkenyl, an alkynyl, or an alkyl substituent.

6 g access to both orientations of the THIQ C1 substituent.

7 in which chloride is replaced by a hydroxyl substituent.

8 itional alkene substituent but not an alkyne substituent.

9 steric bulk resulting from protonation of a substituent.

10 series III with a saturated carboxylic acid substituent.

11 derivatives possessing a terminal methylene substituent.

12 yield depending on the nature of the alkynyl substituent.

13 ized by the electron-withdrawing phthalimide substituent.

14 hat for the quadricyclane without the methyl substituent.

15 overcrowding the nodes with bulky and rigid substituents.

16 an axial ligand, and the effect of porphyrin substituents.

17 BODIPYs bearing terminal bromovinyl and enol substituents.

18 d with highly stabilizing cyclopropane donor substituents.

19 abilization energies provided by the various substituents.

20 d with N-isopropyl, N-isobutyl, and N-benzyl substituents.

21 tle steric differences between two aliphatic substituents.

22 the six-membered ethene bridge and the azole substituents.

23 s sensitive to steric hindrance by 4- and 6'-substituents.

24 ly tuned in a wide range by the variation of substituents.

25 ynthesize derivatives with a wide variety of substituents.

26 ing selective retention of the desired Ar-OH substituents.

27 g are included as pyrazolates with arylamine substituents.

28 by electron-withdrawing or electron-donating substituents.

29 of 40-90 mus depending on the nature of the substituents.

30 ew strategy for modulating strain via remote substituents.

31 th substrates bearing heterocycle and halide substituents.

32 were selected by using suitably sized organo substituents.

33 prefers 4-CP and 2-CP over CPs with multiple substituents.

34 kyl boronate esters from abundant carboxylic substituents.

35 uipped with 13(1)-oxo and 13(2)-carbomethoxy substituents.

36 s in the stereochemistry, anchor groups, and substituents.

37 anions carrying alpha-chloro and alpha-bromo substituents (1a-e) with quinone methides 2a-g and benzy

38 s tuned by installation of 0, 1, or 2 styryl substituents [2-(2,4,6-trimethoxyphenyl)ethenyl], which

39 vity were modulated by introducing bulkier N-substituents, a 2-fluoro substitution, and additional hy

40 ulminating in the discovery of unprecedented substituents able to interact with conserved residues wi

41 lubilizing groups at the exposed terminus of substituents accommodated in flat open pockets.

42 olecular addition of both an alkoxy and acyl substituent across an alkene, oxyacylation of alkenes, u

43 tic substrates containing two ortho fluorine substituents adjacent to the C-H bond and 1,2,3,4-tetraf

44 on of the conformer in which the C-2 and C-3 substituents adopt pseudoaxial orientations.

45 The polarity and size of the 2-substituent affect the 1,2-stereoisomeric relationship,

46 e carried out in order to understand how the substituent affects the cyclization pathway.

47 Five new bacteriochlorins bearing various substituents (alkyl/alkyl, aryl, and alkyl/ester) at pos

48 mple case, these highly electron-withdrawing substituents allow for polymerization of ethylene to hig

49 ovalent ester bond between the 1-methyl heme substituent and Glu-236.

50 culations reveal that both the nature of the substituent and its position on the phenyl ring signific

51 eactions between nitroxides with an N-acetyl substituent and oxoammonium salts with longer acyl side

52 ..HC, and S...HC contacts and the associated substituent and solvent effects.

53 A nascent hydrogen bridge between the protic substituent and the polarized [Ru-Cl] unit imposes direc

54 lained by the close proximity between 4'-OMe substituent and the vicinal 5'- and 3'-phosphate group,

55 erent reactivities and mechanisms induced by substituents and by hexafluoroisopropanol (HFIP) solvent

56 ray of electronically and sterically diverse substituents and generate high yield and stereoselectivi

57 nisms can be altered by electron-withdrawing substituents and hydrogen-bonding solvents.

58 ng on the bulkiness of the phosphine's alkyl substituents and on the number of hypersilyl groups at t

59 action between water molecules and the ionic substituents and shows a concentration-dependent, tunabl

60 o, and defined the significance of thiophene substituents and size of the cycloalkylthiophene core.

61 ns are predicted, depending on the nature of substituents and solvents.

62 meta paradigm no longer holds if appropriate substituents and substitution patterns are chosen, there

63 benzimidazoles incorporating a variety of N-substituents and with both electron-rich and -poor funct

64 despite the absence of electron-withdrawing substituents, and even with sterically encumbered doubly

65 ositions, physiochemical properties of those substituents, and secondary aromatic pharmacophores can

66 incorporation of functionalized alpha-amino substituents appropriate for enhancement of antibiotic a

67 ining thiourea salts with a chiral 2-indanol substituent are reported.

68 the boron, whereas in the second series, PEG substituents are attached to the aryl at the meso positi

69 ly, carbon centers containing four different substituents are configurationally stable, unless bonds

70 The strap and the sulfur substituents are located either inside or outside the po

71 on of free alkynylboronate and the two boryl substituents are not necessarily derived from the same d

72 While 7-substituents are not well-tolerated, we have identified

73 otodeboronation rates, especially when ortho substituents are present.

74 ), which might guide further optimization of substituents around the NH group and phenyl group to imp

75 Electronegative substituents arrayed in 1,3-relationships along saturate

76 variation of the leaving group (LG) and core substituents as well as substitutions at boron.

77 in, we report an extended investigation of 6-substituents as well the first examples of 7-substituted

78 As N-acyl amino acids lacking a third substituent at nitrogen failed to undergo ring-closure,

79 otooxidation of aromatic azides containing a substituent at one of the ortho positions (2,4-dimethoxy

80 by acting on the electronic character of the substituent at position 7 of the heterobicycle and on th

81 The regioselectivity is directed by the substituent at the C3-position of indole.

82 he (1)p* state by an electron-withdrawing CN substituent at the ortho or para position could slow dow

83 dies in pyrimidine 2,4-diamines, focusing on substituents at C5.

84 Lactams with various ring sizes and substituents at different positions all reacted smoothly

85 he imidazolium cation, the effect of varying substituents at each position on the heterocyclic ring w

86 tive installation of carbo- and heterocyclic substituents at position 1', orthogonal functionalizatio

87 ke systems driven by 1,2-DHBs with different substituents at position 4 was performed.

88 Furthermore, the substituents at positions 5,5' remain coplanar to the ce

89 howed that inhibitors with small hydrophobic substituents at the 3-position of P2 quinoxaline maintai

90 Further optimization of the substituents at the 4-position of the thiazole ring and

91 ive process was facilitated by 9-anthracenyl substituents at the 6,6''-positions of a terpyridine, wh

92 not well-tolerated, we have identified novel substituents at the 6-position that are highly effective

93 Tuning of the steric effects of the substituents at the bridgehead allows for the precise co

94 The effect caused by different substituents at the C horizontal lineC bond and at the i

95 ines with two different electron-withdrawing substituents at the C(2) position can undergo in solutio

96 idine-3,3'-oxindoles] with various (het)aryl substituents at the C2 and C5 positions of the pyrrolidi

97 4-nitrophenyl (5), and carboxyl group (6) as substituents at the exocyclic double bond was synthesize

98 azine core with different groups on the aryl substituents at the N and B atoms of the borazino core,

99 The presence of dibenzyl substituents at the nitrogen plays a key role in the ste

100 , bearing unsaturated carbo and heterocyclic substituents at the position 4, gives the corresponding

101 ct regioselectivity is guided by the pyridyl substituent attached to the nitrogen of the pyridone rin

102 t series of arrays contains BODIPYs with PEG substituents attached to the boron, whereas in the secon

103 nary state correlations and investigation of substituent-based electronic perturbation of the alkene

104 the monomeric complex units, large flexible substituents become conformationally restricted by the i

105 a multiple agents and requires a halogenated substituent between approximately 30 and 232 cm(3)/mol v

106 eflects the spatial requirement of the ortho substituent borne by the aryl moiety, electronic aspects

107 In the case of the phenol substituent, both tautomeric forms are present in compar

108 ty when the diene bears an additional alkene substituent but not an alkyne substituent.

109 e solvent exposed, indicating that arabinose substituents can be accommodated in the glycone as well

110 To address the question whether donor substituents can be utilized to accelerate the hole tran

111 emonstrate that inclusion of only a few 2'-F substituents can optimize properties far beyond simple n

112 , we suggest that lipophilic N6 and bulky C2 substituents can promote stable and long-lived binding e

113 ents for one of the meta-series, while donor substituents can strongly decrease the intrinsic barrier

114 ant second coordination sphere interactions, substituents capable of hydrogen bonding are included as

115 Thus far, depending upon pendent substituents, certain receptors (e.g., serotonin recepto

116 key intermediate with all four 4-bromophenyl substituents cis to one another.

117 Diarylviologens containing electron-donating substituents complexed with cucurbit[8]uril (CB[8]) in a

118 r data may form the basis for a free radical substituent constant, sigmaQ*, analogous to the traditio

119 perarmed disaccharide donors with axial-rich substituents contained skew and boat conformations, and

120 the highly electron-withdrawing fluorinated substituent, cyclic alpha-trifluoromethylated N-acylimin

121 d- and pyridine-based arenes with a range of substituents demonstrates the efficacy and regioselectiv

122 This is caused by an unprecedented substituent-dependent change of the HT mechanism from th

123 sms, and roles of sodium-oxygen contacts are substituent-dependent.

124 Carbinol substituents determine the extent of cyclopropyl carbiny

125 The cyclopropane donor substituents determine the overall reaction chemoselecti

126 t surface suggests that strongly hydrophobic substituents determine the reactivity of Criegee interme

127 The substituent effect was analyzed using the Hammett consta

128 We find that these substituent effects are additive, for example, a 2,6-dii

129 Substituent effects are illustrated by comparing the C-C

130 a number of experimental phenomena including substituent effects on reactivity, chemo- and regioselec

131 The impact of substituent effects on the conformational space was inve

132 y (UB3LYP/6-31+G(d,p)) was used to determine substituent effects on the singlet-triplet energy gap fo

133 In this work, substituent effects tune non-covalent interactions betwe

134 Substituent effects were muted compared to those in the

135 m both external stimuli by acid and internal substituent effects.

136 y, nucleophilicity, allotrope stability, and substituent effects.

137 of receptors and for quantitative studies of substituent effects.

138 with this photocage are highly sensitive to substituent effects.

139 ions, in addition to the origin of hydrazine substituent effects.

140 y a combined ortho-CN and meta-dimethylamino substituent electronic effect that largely suppresses th

141 of initial rates of phenol formation, and of substituent electronic effects, a mechanistic picture in

142 ose, whereas others change because the added substituent enables new, stronger interactions that are

143 Interestingly, the 2'-F substituents facilitate the selection of specific intera

144 the HT properties are independent of bridge substituents for one of the meta-series, while donor sub

145 Our study focused on identifying novel substituents for the apolar S2 pocket of cathepsin L and

146 AT, NET, and SERT, but lengthening the amine substituent from methyl to ethyl, propyl, and butyl prod

147 Fluorine substituents gave rise to increasingly more stabilizing

148 erated from spiroepoxide 14, onto an alkynyl substituent generating tetracyclic compound 13 with an e

149 of triphenylamine-based dyes bearing halogen substituents geometrically positioned for reaction with

150 us to follow the through-bond impact of the substituent group (electronic effect) without the side-c

151 The effect of substituent group structure and position on biodegradati

152 In contrast, ABQs that contain substituent groups on the biologically active aziridine

153 -neutral synthesis of catechols with diverse substituent groups under mild conditions.

154 d within the pocket by growing aliphatic P1' substituents (H, Me, iPr, iBu) reveals a dramatic, entha

155 on organic functional groups (e.g., aromatic substituents, halides, isolated mono- and di-substituted

156 extreme reactivity, although the addition of substituents has allowed the stabilization and synthesis

157 Heteroatomic peptide amide substituents have received less attention due, in part,

158 es, among other groups) but carried inactive substituents having specifically designed differences in

159 Polar and small substituents, however, increasingly prefer the axial pos

160 as cage or solvent effects, remote chemical substituents, improved treatments of electron correlatio

161 iminyl radical delocalization into the aryl substituent in 2 as compared with 6.

162 and small subunits, wherein the 6'-hydroxyl substituent in ring I serves as a key determinant of bin

163 thus, demonstrating the role of the fluorine substituent in stabilizing the U-shaped conformation.

164 orosulfanyl (SF5) or a trifluoromethyl (CF3) substituent in the 2-position by treatment of correspond

165 ompromising activity, whereas bulk and rigid substituents in 5'-position appear unfavorable.

166 extensively investigated, but the impact of substituents in 5'-position is not equally well-studied.

167 ng pentafluorosulfanyl groups were probed as substituents in an organometallic catalyst.

168 e present reaction tolerated a wide range of substituents in both propargyl alcohols and diorganyl di

169 but the mechanistic details and the role of substituents in promoting the transformations have not b

170 The steric demand of the alkyl substituents in the BODIPY subunit defines the site of (

171 alysis to gain key insights into the role of substituents in the conformational preferences of these

172 barrier and the rate of HT for strong donor substituents in the para-cases.

173 n (quantum yields) and the effect of methoxy substituents in the phenyl moiety have been studied.

174 ituted pyrroles-including those with hetaryl substituents-in good to excellent yields in a multicatal

175 ion of spiroketals of various ring sizes and substituents, including heteroatoms with high enantio- a

176 > NH congruent with S, whereas exocyclic (Y) substituents increase it in the order of CH2 > NH > O >

177 sume a high-spin quintet ground state due to substituent-induced intramolecular strain.

178 While bulky alkyl substituents inhibit the switching behavior, pi-conjugat

179 In contrast, introduction of diaromatic substituents into the 4-position of T-HCA led to high-af

180 To gain insight into the active chemical substituents involved in the inhibition of UGM, several

181 Where an additional 3-methoxy substituent is present, bridged oxocine/azocine products

182 es place in the ketones, in which one of the substituents is not a methyl group.

183 variation in terms of steric influence of N-substituents is observed.

184 g electron releasing or electron withdrawing substituents lead almost exclusively to a single tautome

185 ibrium constant, with para electron-donating substituents leading to a weaker bond and electron-withd

186 ng to a weaker bond and electron-withdrawing substituents leading to stronger bonds, following a capt

187 thine is a planar framework in which an aryl substituent linked in the 1 or 3 position is driven out

188 n of the Ar-CO and Ar-Ar' bonds depending on substituent location is proposed.

189 the deactivating effect of a trifluoromethyl substituent, making an otherwise highly electron-deficie

190 or maximum enantioselectivity, several other substituents may also be present such that appreciable s

191 Substituent modifications of the quinone core allow abso

192 ts of the porphyrin ring, such as peripheral substituents, molecular skeleton, coordinated metal, all

193 nding at the DDC site, at least one hydroxyl substituent must be present at the aromatic ring of the

194 e new strategies has been the development of substituents near the reactive aldehyde group that eithe

195 Both introduction of a hydrophobic substituent next to the cyano group and aminoquinoline m

196 f evidence show that lengthening the N-alkyl substituent of 4-MA reduces potency to inhibit transport

197 The conformational freedom of the benzyl substituent of the substrate was also found to be import

198 on scope showing good group variation on the substituents of both nitrogen atoms is also presented.

199 and efficient for the substrates containing substituents of different electronic nature.

200 f the products is influenced by the specific substituents of the starting reagents, which has been ra

201 n-2-one derivatives, bearing the fluorinated substituent on a tetrasubstituted carbon.

202 kinetics experiments that show the effect of substituent on light absorption properties of the norbor

203 An interesting effect of a remote substituent on radical cyclization has also been present

204 Introduction of a chiral ether substituent on the 5-position of the piperidine ring pro

205 non, we have examined the influence of the 4-substituent on the amide isomerism in peptidyl-prolyl an

206 products show unusual pseudomigration of the substituent on the arene ring of arylglyoxals.

207 due to the presence of a hydrophobic methyl substituent on the Criegee carbon that lowers the proton

208 nsity, and a pronounced effect of the ligand substituent on their stability.

209 tron donating and electron withdrawing ortho-substituents on 2-aminobenzoic acid resulted in the prod

210 (i) the electron-releasing characteristic of substituents on ArH, with more electron-releasing charac

211 The nature and relative positioning of the substituents on both the carbinol and the cyclopropane d

212 xamples with various halo, alkyl, and alkoxy substituents on either of the aromatic rings.

213 stituents on phosphorus and benzyl or phenyl substituents on nitrogen were employed, and the compound

214 es a 1,3-trans stereochemical arrangement of substituents on one of its 5-membered rings, a pattern s

215 (R)2N(R')2 ligands with cyclohexyl or phenyl substituents on phosphorus and benzyl or phenyl substitu

216 ation (P < 0.05) with Hammett's constant for substituents on position 3 of the phenol ring.

217 on-catecholic anthocyanidins depended on the substituents on ring B.

218 zin-3-one derivatives, featured by different substituents on the 2-phenyl ring (R) and at position 6

219 The selectivity is independent of the substituents on the allyl ethers; rate and computational

220 nions correlated to the electron-withdrawing substituents on the aryl rings.

221 featuring electron-donating or -withdrawing substituents on the benzylidyne.

222 as well as inductive electronic effects from substituents on the C4 and C5 positions.

223 on rate, induced by electronically different substituents on the carboxylic acid.

224 set of derivatives (1-29), bearing different substituents on the fused benzo ring (Cl, NO2, NH2, CF3,

225 can be controlled by steric pressure due to substituents on the heteroatoms flanking the carbene cen

226 nature of the reaction product depend on the substituents on the hydroxyl groups of the tartaric acid

227 at this chemistry can accommodate additional substituents on the lactam/sultam ring and allows late s

228 ned upon replacement of the bulky tert-butyl substituents on the ligands with methyl groups.

229 h unfunctionalized as well as functionalized substituents on the meta- or para-position.

230 By installation of electron-withdrawing substituents on the N-aryl moieties, the thermal stabili

231 to favourable encapsulating effects from the substituents on the perenosin backbone.

232 reaction is not affected by the presence of substituents on the phenol ring.

233 in the receptor selectivity profile and that substituents on the phenyl ring are well accommodated by

234 Although the nature of the substituents on the phenyl tethering ring did not alter

235 The influence of the push-pull substituents on the spectroscopic and electrochemical pr

236 an allylic alcohol, an aryl olefin, an alpha substituent, or amino acid residues was carried out to g

237 nal alkynes, strained rings, electronegative substituents, or lone-pair-bearing heteronuclei.

238 l iron carbynes possessing an aryl carbamate substituent owing to the direct attachment of an C(O)OSi

239 energy relationship between the Hammett para substituent parameter and the dimerization equilibrium c

240 Substituents placing polar decoy groups into the pocket

241 dra, Ge18Pd3, and two sets of three (i)Pr3Si-substituents positioned in "eclipsed" geometry.

242 Nonpolar and large 2-substituents prefer the equatorial position, and relativ

243 Steric effects imparted by NDI core substituents prevent excess thionation, simplifying puri

244 confused porphyrin bearing pentafluorophenyl substituents previously prepared by a stepwise route.

245 of various aromatic compounds with different substituents, probably depending on the oxidation state

246 e designed to contain a pair of redox-active substituents, quinone and hydroquinone groups, which all

247 irality induced in the arene scaffold by the substituents rather than on the precise nature of the su

248 toxic 3-nitro group by 3-chloro and 3-fluoro substituents, resulting in compounds with high Top1 inhi

249 atic framework with alternating out-of-plane substituents results in diminished interlayer interactio

250 mination is accelerated by electron-donating substituents (rho = -2.0) on one or both rings, with the

251 n wavelengths are directly correlated to the substituent's Hammett constants.

252 rich array of optical properties, including substituent-sensitive Soret maxima indicative of ligand

253 arenes bearing strongly electron-withdrawing substituents (sigma > 0.43).

254 Exploration of the effect of the N substituent size and shape on the imidazole substrate sh

255 of homologous squaraine dyes with different substituents (speed bumps) on the flanking chains and tw

256 Substituent steric bulk is also implicated in successful

257 sterically demanding analogues bearing ortho substituents strive to retain their recognition properti

258 mplementarity, whether through a polar-pi or substituent-substituent mechanism, can serve as an effec

259 anced by substitution with electron-donating substituents, such as the S-atom in phenothiazines, anot

260 n interactions between contacting tert-butyl substituents surrounding the central contact deliver the

261 ive to ATP-competitive inhibitors with bulky substituents that complement this expanded binding pocke

262 -diboration provided products with two boron substituents that exhibit differential reactivity.

263 6-Substituents that favor competitive inhibition at the AT

264 These macrocycles bear large and flexible substituents that usually complicate the use of docking

265 Through the modification of tail-region substituents, the specificity of inhibition for SphK1 an

266 insensitivity of the bonding interaction to substituents: The stacking of polarizable pi radicals le

267 nts rather than on the precise nature of the substituents themselves.

268 ngineering (e.g., backbone, side chains, and substituents), then the discussion moves on to polymer e

269 Modifying the core or adding substituents to the azobenzene moiety can lead to marked

270 Attaching the donor substituents to the bridge at positions where the molecu

271 arbodiimides or add intramolecularly to aryl substituents to yield indazoles and related compounds.

272 nd electronic factors is exploited to orient substituents toward S1, S1', and S2' pockets both in the

273 e, and porphyrin ligands with different meso-substituents, TPFPP (tetrakis(pentafluorophenyl)porphyri

274 ing substituents, while electron-withdrawing substituents typically result in 1:1 binary complexes.

275 used ring heterocycle linked to an aliphatic substituent via a urea moiety.

276 yrrin featuring a conjugated terminal alkyne substituent was converted to its corresponding difluoro

277 13e featuring a phenylpenta-2,4-dienoic acid substituent was shown to be antiproliferative and downre

278 tic acid derivatives containing an N-allenyl substituent were synthesized with good yields using eith

279 (1 and 4) lacking both the N-1 and the 2-oxo substituents were also introduced in lieu of His24.

280 taining methoxy, carboxy, amino, and sulfide substituents were carried out in order to understand how

281 The substituents were chosen such that the products from any

282 E- and Z-alkenes with both aryl and alkyl substituents were compatible with this chemistry.

283 The positions of the bromine substituents were confirmed by 2D-NMR spectroscopic anal

284 3 degrees /2 degrees ) designed with various substituents were employed to understand the steric as w

285 Bromine substituents were introduced ortho to the upper side cha

286 drawing, alkyl, aryl, halogen, and haloalkyl substituents were prepared (several in multigram quantit

287 th methyl, butyl, benzyl, or 4-ethynylbenzyl substituents were prepared and tested as substrates for

288 anes (boriranes) with N-heterocyclic carbene substituents were prepared by a recently discovered rout

289 Norbornenes with two ester substituents were prepared by Diels-Alder cycloadditions

290 substituted at 4-position with hydroxyphenyl substituents were synthesized by acidic condensation acc

291 electron-deficient and electron-rich 3-aryl substituents, were successfully reacted in high yields.

292 ry complexes is favored by electron-donating substituents, while electron-withdrawing substituents ty

293 Our strategy is based on incorporation of a substituent with an extended pi-electron system on the e

294 electron density at the bridge was tuned by substituents with different electron donating or accepti

295 Substrates having substituents with functionalities such as silyl protecte

296 the allyl group could be replaced with other substituents, with the most active being benzothiazole d

297 Due to the repulsion of the two aryl substituents within the same bay region, the chiral pero

298 corporation of two 9-borabicyclo[3.3.1]nonyl substituents within the secondary coordination sphere of

299 sults show the 3'-position to tolerate large substituents without compromising activity, whereas bulk

300 pairs change binding mode because the added substituent would irreconcilably conflict with the recep