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(2S)-1-[4-[2-[6-氨基-8-[(6-溴-1,3-苯并二氧戊环-5-基)硫基]-9H-嘌呤-9-基]乙基]-1-哌啶基]-2-羟基-1-丙酮

CAS号：958025-66-6

英文名：(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one

分子式

C22H25BrN6O4S

熔点

密度

分子量

549.441

沸点

溶解度

信号词

危险品标志

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化合物简介

MPC-3100 is a recently discovered fully synthetic purine-based Hsp90 Inhibitor exhibiting anticancer properties

基本信息

中文名称

(2S)-1-[4-[2-[6-氨基-8-[(6-溴-1,3-苯并二氧戊环-5-基)硫基]-9H-嘌呤-9-基]乙基]-1-哌啶基]-2-羟基-1-丙酮

英文名称

(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one

中文别名

英文别名

CAS号

958025-66-6

分子式

C22H25BrN6O4S

分子量

549.441

精确质量

548.084

PSA

153.92

LOGP

3.5795

合成路线

1156468-58-4

tert-butyl 4-[2-(6-amino-8-bromo-9H-purin-9-yl)ethyl]piperidine-1-carboxylate

958025-66-6

(2S)-1-[4-[2-[6-氨基-8-[(6-溴-1,3-苯并二氧戊环-5-基)硫基]-9H-嘌呤-9-基]乙基]-1-哌啶基]-2-羟基-1-丙酮

上游原料

tert-butyl 4-{2-[6-amino-8-(1,3-benzodioxol-5-ylthio)-9H-purin-9-yl]ethyl}piperidine-1-carboxylate

1156468-55-1

tert-butyl 4-[2-(6-amino-9H-purin-9-yl)ethyl]piperidine-1-carboxylate

1396789-93-7

2-ethylhexyl 3-(benzo[d][1,3]dioxol-5-ylthio)propanoate

上游原料

1,2-溴-4,5-亚甲二氧基苯 N-Boc-4-哌啶乙醇 1-N-Boc-O-甲磺酰－羟乙基哌啶 tert-butyl 4-{2-[6-amino-8-(1,3-benzodioxol-5-ylthio)-9H-purin-9-yl]ethyl}piperidine-1-carboxylate tert-butyl 4-[2-(6-amino-9H-purin-9-yl)ethyl]piperidine-1-carboxylate 2-ethylhexyl 3-(benzo[d][1,3]dioxol-5-ylthio)propanoate 4-溴-1,2-亚甲二氧基苯 6-aminopurine 2-ethylhexyl 3-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-propanoate 3,4-亚甲二氧基苯硫酚 8-巯基腺嘌呤 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine tert-butyl 4-[2-(6-amino-8-bromo-9H-purin-9-yl)ethyl]piperidine-1-carboxylate 4-哌啶乙醇 4-(2-溴乙基)哌啶-1-羧酸叔丁酯