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Asunaprevir; (1R,2S)-N-[(1,1-二甲基乙氧基)羰基]-3-甲基-L-缬氨酰-(4R)-4-[(7-氯-4-甲氧基-1-异喹啉基)氧基]-L-脯氨酰-1-氨基-N-(环丙基磺酰基)-2-乙烯基环丙基甲酰胺
tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
化合物简介
Asunaprevir (formerly BMS-650032, brand name in Japan and Russia Sunvepra) is an experimental drug candidate for the treatment of hepatitis C. It is undergoing development by Bristol-Myers Squibb and is currently in Phase III clinical trials.
基本信息
CAS：630420-16-5
中文别名：
英文别名：Asunaprevir (JAN/USAN);N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide;CS-0674;Asunaprevir;tert-butyl (S)-1-((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate;
分子式：C35H46ClN5O9S
分子量：748.286
精确质量：747.27
Psa：201.18
Logp：6.7575
中文别名：
英文别名：Asunaprevir (JAN/USAN);N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide;CS-0674;Asunaprevir;tert-butyl (S)-1-((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate;
分子式：C35H46ClN5O9S
分子量：748.286
精确质量：747.27
Psa：201.18
Logp：6.7575
编号系统
UNII：S9X0KRJ00S
物化性质
密度：1.4±0.1g/cm3
折射率：1.616
储存条件：2-8°C
折射率：1.616
储存条件：2-8°C
安全信息
生产方法及用途
合成路线
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参考文献
Li, Xianfeng; Zhang, Suoming; Zhang, Yong-Kang; Liu, Yang; Ding, Charles Z.; Zhou, Yasheen; Plattner, Jacob J.; Baker, Stephen J.; Bu, Wei; Liu, Liang; Kazmierski, Wieslaw M.; Duan, Maosheng; Grimes, Richard M.; Wright, Lois L.; Smith, Gary K.; Jarvest, Richard L.; Ji, Jing-Jing; Cooper, Joel P.; Tallant, Matthew D.; Crosby, Renae M.; Creech, Katrina; Ni, Zhi-Jie; Zou, Wuxin; Wright, Jon Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 7 p. 2048 - 2054
上游原料
下游产品
图谱
1H NMR : Predict
13C NMR : Predict
