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阿斯普尼辛

阿斯普尼辛

CAS号：93413-04-8

英文名：(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

分子式

C31H29N5O4

熔点

密度

1.48g/cm3

分子量

535.593

沸点

溶解度

信号词

危险品标志

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化合物简介

Asperlicin is a mycotoxin, derived from the fungus Aspergillus alliaceus. It acts as a selective antagonist for the cholecystokinin receptor CCKA, and has been used as a lead compound for the development of a number of novel CCKA antagonists with potential clinical applications.

基本信息

中文名称

阿斯普尼辛

英文名称

(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

中文别名

英文别名

Quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione,6,7-dihydro-7-((2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)-,(2S-(2alpha,9beta,9(R*),9abeta))、asperlicin、C31H29N5O4

CAS号

93413-04-8

分子式

C31H29N5O4

分子量

535.593

精确质量

535.222

PSA

120.05

LOGP

3.5429

编号系统

UNII

U0MJE9LRXV

物化性质

密度

1.48g/cm3

折射率

1.761

合成路线

phenylmethyl 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-9-[(5,6,7,13-tetrahydro-5,13-dioxoquinazolino[3,2-a][1,4]benzodiazepin-7-yl)methyl]-1H-imidazo[1,2-a]indole-1-carboxylic acid ester

phenylmethyl 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-9-[(5,6,7,13-tetrahydro-5,13-dioxoquinazolino[3,2-a][1,4]benzodiazepin-7-yl)methyl]-1H-imidazo[1,2-a]indole-1-carboxylic acid ester

阿斯普尼辛

阿斯普尼辛

上游原料

共找到16个上游原料 >

o-azidobenzoylchloride

o-azidobenzoylchloride

benzyl (S)-9-(((S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)methyl)-2-isobutyl-3-oxo-2,3-dihydro-1H-imidazo[1,2-a]indole-1-carboxylate

benzyl (S)-9-(((S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)methyl)-2-isobutyl-3-oxo-2,3-dihydro-1H-imidazo[1,2-a]indole-1-carboxylate

phenylmethyl 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-9-[(5,6,7,13-tetrahydro-5,13-dioxoquinazolino[3,2-a][1,4]benzodiazepin-7-yl)methyl]-1H-imidazo[1,2-a]indole-1-carboxylic acid ester

phenylmethyl 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-9-[(5,6,7,13-tetrahydro-5,13-dioxoquinazolino[3,2-a][1,4]benzodiazepin-7-yl)methyl]-1H-imidazo[1,2-a]indole-1-carboxylic acid ester

(2S)-3-(1H-indol-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid

(2S)-3-(1H-indol-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid

(S)-2-Isobutyl-3-oxo-9-{(S)-2-phenoxycarbonyl-2-[2-(2,2,2-trichloro-ethoxycarbonylamino)-benzoylamino]-ethyl}-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester

(S)-2-Isobutyl-3-oxo-9-{(S)-2-phenoxycarbonyl-2-[2-(2,2,2-trichloro-ethoxycarbonylamino)-benzoylamino]-ethyl}-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester

(S)-2-Isobutyl-3-oxo-9-[(S)-2-phenoxycarbonyl-2-(2,2,2-trichloro-ethoxycarbonylamino)-ethyl]-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester

(S)-2-Isobutyl-3-oxo-9-[(S)-2-phenoxycarbonyl-2-(2,2,2-trichloro-ethoxycarbonylamino)-ethyl]-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester

上游原料

o-azidobenzoylchloride benzyl (S)-9-(((S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)methyl)-2-isobutyl-3-oxo-2,3-dihydro-1H-imidazo[1,2-a]indole-1-carboxylate phenylmethyl 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-9-[(5,6,7,13-tetrahydro-5,13-dioxoquinazolino[3,2-a][1,4]benzodiazepin-7-yl)methyl]-1H-imidazo[1,2-a]indole-1-carboxylic acid ester (2S)-3-(1H-indol-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid (S)-2-Isobutyl-3-oxo-9-{(S)-2-phenoxycarbonyl-2-[2-(2,2,2-trichloro-ethoxycarbonylamino)-benzoylamino]-ethyl}-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester (S)-2-Isobutyl-3-oxo-9-[(S)-2-phenoxycarbonyl-2-(2,2,2-trichloro-ethoxycarbonylamino)-ethyl]-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester (S)-3-[1-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-1H-indol-3-yl]-2-(2,2,2-trichloro-ethoxycarbonylamino)-propionic acid phenyl ester (S)-9-((S)-5,13-Dioxo-5,6,7,13-tetrahydro-6,8,13a-triaza-benzo[3,4]cyclohepta[1,2-b]naphthalen-7-ylmethyl)-2-isobutyl-3-oxo-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester phenyl ((2,2,2-trichloroethoxy)carbonyl)-L-tryptophanate (S)-9-[(S)-1-(2-Azido-benzoyl)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-ylmethyl]-2-isobutyl-3-oxo-2,3-dihydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester (S)-3-[1-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-2-iodo-1H-indol-3-yl]-2-(2,2,2-trichloro-ethoxycarbonylamino)-propionic acid phenyl ester (S)-3-(2,3-Dihydro-1H-indol-3-yl)-2-(2,2,2-trichloro-ethoxycarbonylamino)-propionic acid phenyl ester (S)-9-((7S,7aS)-5,13-Dioxo-5,6,7,7a,8,13-hexahydro-6,8,13a-triaza-benzo[3,4]cyclohepta[1,2-b]naphthalen-7-ylmethyl)-9-hydroxy-2-isobutyl-9a-methoxy-3-oxo-2,3,9,9a-tetrahydro-imidazo[1,2-a]indole-1-carboxylic acid benzyl ester benzyl (2S,9S,9aR)-9-(((7S,7aS)-5,13-dioxo-5,6,7,7a,8,13-hexahydrobenzo[6,7][1,4]diazepino[2,1-b]quinazolin-7-yl)methyl)-9-hydroxy-2-isobutyl-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indole-1-carboxylate N-苄氧羰基-L-亮氨酸 phenyl (2S)-3-(1-(((benzyloxy)carbonyl)-L-leucyl)indolin-3-yl)-2-(((2,2,2-trichloroethoxy)carbonyl)amino)propanoate