(1'S,2'R,3'S,4'R,5'S)-4'-[6-chloro-2-iodopurin-9-yl]-2',3'-isopropylidenebicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester | 793695-77-9

分子结构分类

有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类

中文名称

——

中文别名

——

英文名称

(1'S,2'R,3'S,4'R,5'S)-4'-[6-chloro-2-iodopurin-9-yl]-2',3'-isopropylidenebicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester

英文别名

(1'S,2'R,3'S,4'S,5'S)-4'-[6-chloro-2-iodo-purin-9-yl]-2',3'-O-isopropylidene-bicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester；(1'R,2'R,3'S,4'R,5'S)-4'-(6-chloro-2-iodopurin-9-yl)-2',3'-O-isopropylidenebicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester；ethyl (1R,2S,4S,5R,6S)-5-(6-chloro-2-iodopurin-9-yl)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate

(1'S,2'R,3'S,4'R,5'S)-4'-[6-chloro-2-iodopurin-9-yl]-2',3'-isopropylidenebicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester化学式

CAS

793695-77-9

化学式

C₁₇H₁₈ClIN₄O₄

mdl

——

分子量

504.712

InChiKey

SXSNTNLNLFTKLT-YMSDUSNHSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

597.9±60.0 °C(Predicted)
密度：

2.10±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.2
重原子数：

27
可旋转键数：

4
环数：

5.0
sp3杂化的碳原子比例：

0.65
拓扑面积：

88.4
氢给体数：

0
氢受体数：

7

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	ethyl (3aR,3bS,4aS,5R,5aS)-5-(2-iodo-6-(methylamino)-9H-purin-9-yl)-2,2-dimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxylate	1377273-14-7	C₁₈H₂₂IN₅O₄	499.308
——	(1S,2R,3S,4R,5S)-ethyl (2',3'-O-isopropylidene)-4-(2-iodo-6-(phenylethylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-1-carboxylate	1446996-82-2	C₂₅H₂₈IN₅O₄	589.433
——	(1'S,2'R,3'S,4'R,5'S)-4'-[6-(3-chlorobenzylamino)-2-iodopurin-9-yl]-2',3'-isopropylidenebicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester	793695-83-7	C₂₄H₂₅ClIN₅O₄	609.851
——	(1S,2R,3S,4R,5S)-ethyl (2',3'-O-isopropylidene)-4-{2-iodo-6-(4-(2-aminoethyl)benzenesulfonic acid)-9H-purin-9-yl}bicyclo-[3.1.0]hexane-1-carboxylate	1446996-83-3	C₂₅H₂₈IN₅O₇S	669.497
——	ethyl (3aR,3bS,4aS,5R,5aS)-5-(6-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxylate	1619240-28-6	C₂₆H₂₆F₂IN₅O₄	637.425
——	ethyl (3aR,3bS,4aS,5R,5aS)-5-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxylate	1619240-29-7	C₂₆H₂₆F₂IN₅O₄	637.425
——	(3aR,3bS,4aS,5R,5aS)-5-(2-iodo-6-(methylamino)-9H-purin-9-yl)-N,2,2-trimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxamide	1377273-17-0	C₁₇H₂₁IN₆O₃	484.297
——	(1S,2R,3S,4R,5S)-(2',3'-O-isopropylidene)-4-(2-iodo-6-(phenylethylamino)-9H-purin-9-yl)-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1446996-79-7	C₂₄H₂₇IN₆O₃	574.421
——	(1S,2R,3S,4R,5S)-(2',3'-O-isopropylidene)-4-{2-iodo-6-(4-(2-aminoethyl)benzenesulfonic acid)-9H-purin-9-yl}-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1446996-81-1	C₂₄H₂₇IN₆O₆S	654.485
——	(3aR,3bS,4aS,5R,5aS)-5-(6-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-iodo-9H-purin-9-yl)-N,2,2-trimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxamide	1619240-35-5	C₂₅H₂₅F₂IN₆O₃	622.413
——	(3aR,3bS,4aS,5R,5aS)-5-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-iodo-9H-purin-9-yl)-N,2,2-trimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxamide	1619240-36-6	C₂₅H₂₅F₂IN₆O₃	622.413
——	(1S,2R,3S,4R,5S)-(2,3-O-isopropylidene)-N-methyl-4-(6-(methylamino)-2-(phenylethynyl)-9H-purin-9-yl)bicyclo[3.1.0]hexane-1-carboxamide	1377273-23-8	C₂₅H₂₆N₆O₃	458.52
——	(1S,2R,3S,4R,5S)-4-(2-((4-chlorophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-35-2	C₂₅H₂₅ClN₆O₃	492.965
——	(1S,2R,3S,4R,5S)-4-(2-((3-chlorophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-33-0	C₂₅H₂₅ClN₆O₃	492.965
——	(1S,2R,3S,4R,5S)-4-(2-((3-fluorophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-27-2	C₂₅H₂₅FN₆O₃	476.51
——	(1S,2R,3S,4R,5S)-4-(2-((4-bromophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-37-4	C₂₅H₂₅BrN₆O₃	537.416
——	(1S,2R,3S,4R,5S)-4-(2-((4-fluorophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-29-4	C₂₅H₂₅FN₆O₃	476.51
——	(1S,2R,3S,4R,5S)-4-(2-((2-chlorophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-31-8	C₂₅H₂₅ClN₆O₃	492.965
——	(1S,2R,3S,4R,5S)-4-(2-((3-aminophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-39-6	C₂₅H₂₇N₇O₃	473.534
——	(1S,2R,3S,4R,5S)-(2,3-O-isopropylidene)-N-methyl-4-(6-(methylamino)-2-(pyridin-2-ylethynyl)-9H-purin-9-yl)bicyclo[3.1.0]hexane-1-carboxamide	1377273-21-6	C₂₄H₂₅N₇O₃	459.508
——	(1S,2R,3S,4R,5S)-4-(2-(biphenyl-4-ylethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-51-2	C₃₁H₃₀N₆O₃	534.618
——	(1S,2R,3S,4R,5S)-4-(2-((3,5-difluorophenyl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hexane-1-carboxamide	1377273-43-2	C₂₅H₂₄F₂N₆O₃	494.501
——	(1S,2R,3S,4R,5S)-4-(2-((phenanthren-9-yl)ethynyl)-6-(methylamino)-9H-purin-9-yl)-2,3-O-isopropylidene-N-methylbicyclo[3.1.0]hex