(2S,4R)-1-(S)-(2-tert-butyl-4-oxo-4-(piperidin-1-yl)butanoyl)-N-(1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-(7-methoxy-2-phenylquinolin-4-yloxy)pyrrolidine-2-carboxamide | 1001666-93-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4R)-1-(S)-(2-tert-butyl-4-oxo-4-(piperidin-1-yl)butanoyl)-N-(1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-(7-methoxy-2-phenylquinolin-4-yloxy)pyrrolidine-2-carboxamide
• 英文别名: (2S,4R)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-[(2S)-3,3-dimethyl-2-[2-oxo-2-(1-piperidyl)ethyl]butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxamide；(2S,4R)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxamide
• CAS: 1001666-93-8
• 化学式: C₄₃H₅₃N₅O₈S
• 分子量: 799.989
• InChiKey: MHFMTUBUVQZIRE-NAXWCYCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  57
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  173
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (1-cyclopropanesulfonaminocarbonyl-2-vinyl-cyclopropyl)-carbamic acid tert-butyl ester 在 N-甲基吗啉 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 (2S,4R)-1-(S)-(2-tert-butyl-4-oxo-4-(piperidin-1-yl)butanoyl)-N-(1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-(7-methoxy-2-phenylquinolin-4-yloxy)pyrrolidine-2-carboxamide
  参考文献：
  名称：

  4-amino-4-oxobutanoyl peptides as inhibitors of viral replication

  摘要：

  该发明提供了化学式I的4-氨基-4-氧代丁酰肽及其药用盐和水合物。此处定义了变量R、R1、R6-R8、R16、R18、R19、M、n、T、Y和Z。化学式I的某些化合物可用作抗病毒药剂。本文披露的4-氨基-4-氧代丁酰肽是有效和/或选择性抑制病毒复制的药物，特别是乙型肝炎病毒复制。该发明还提供含有一种或多种4-氨基-4-氧代丁酰肽和一种或多种药用载体的药物组合物。这种药物组合物可以仅包含4-氨基-4-氧代丁酰肽作为唯一活性剂，也可以包含4-氨基-4-氧代丁酰肽与一种或多种其他药用活性剂的组合。该发明还提供治疗病毒感染的方法，包括乙型肝炎感染。

  公开号：

  US09133115B2

文献信息

• 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION
  申请人：Phadke Avinash

  公开号：US20090048297A1

  公开（公告）日：2009-02-19

  The invention provides 4-amino-4-oxobutanoyl peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables R 1 -R 9 , R 16 , R 18 , R 19 , n, M, n, M, and Z are defined herein. Certain compounds of Formula I are useful as antiviral agents. Certain 4-amino-4-oxobutanoyl peptide compounds disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more 4-amino-4-oxobutanoyl peptide compounds and one or more pharmaceutically acceptable carriers. Such pharmaceutical compositions may contain 4-amino-4-oxobutanoyl peptide compound as the only active agent or may contain a combination of 4-amino-4-oxobutanoyl peptide containing peptides compound and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections, in mammals.

  该发明提供了Formula I的4-氨基-4-氧代丁酰肽化合物及其药用盐和水合物。变量R1-R9、R16、R18、R19、n、M和Z在此处定义。Formula I的某些化合物可用作抗病毒剂。本文披露的某些4-氨基-4-氧代丁酰肽化合物是有效和/或选择性抑制病毒复制的药物，特别是乙型肝炎病毒的复制。该发明还提供含有一种或多种4-氨基-4-氧代丁酰肽化合物和一种或多种药用载体的药物组合物。这种药物组合物可能仅含有4-氨基-4-氧代丁酰肽化合物作为唯一活性剂，也可能含有一种或多种其他药用活性剂与含有4-氨基-4-氧代丁酰肽的肽化合物的组合。该发明还提供了治疗哺乳动物病毒感染的方法，包括乙型肝炎感染。
• 4-amino-4-oxobutanoyl Peptides as Inhibitors of Viral Replication
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：EP2374812A2

  公开（公告）日：2011-10-12

  The invention provides 4-amino-4-oxobutanoyl peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables R1-R9, R16, R18, R19, n, M, , n, M, , and Z are defined herein. Certain compounds of Formula I are useful as antiviral agents. Certain 4-amino-4-oxobutanoyl peptide compounds disclosed herein are potent and/ or selective inhibitors of viral replication, particularly Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more 4-amino-4-oxobutanoyl peptide compounds and one or more pharmaceutically acceptable carriers. Such pharmaceutical compositions may contain 4-amino-4-oxobutanoyl peptide compound as the only active agent or may contain a combination of 4-amino-4-oxobutanoyl peptide containing peptides compound and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections, in mammals.

  本发明提供了式 I 的 4-氨基-4-氧代丁酰基肽化合物 及其药用盐和水合物。 变量 R1-R9、R16、R18、R19、n、M、、n、M、和 Z 在本文中定义。某些式 I 化合物可用作抗病毒剂。本文公开的某些 4-氨基-4-氧代丁酰基肽化合物是病毒复制，特别是丙型肝炎病毒复制的强效和/或选择性抑制剂。本发明还提供了含有一种或多种 4-氨基-4-氧代丁酰基肽化合物和一种或多种药学上可接受的载体的药物组合物。这种药物组合物可以含有4-氨基-4-氧代丁酰基肽化合物作为唯一的活性剂，也可以含有含4-氨基-4-氧代丁酰基肽化合物和一种或多种其他药物活性剂的组合。本发明还提供了治疗哺乳动物病毒感染（包括丙型肝炎感染）的方法。
• HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS.
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：EP2164846A2

  公开（公告）日：2010-03-24
• NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：EP2364309A2

  公开（公告）日：2011-09-14
• HETEROARYL SUBSTITUTED THIAZOLES
  申请人：Wang Xiangzhu

  公开号：US20090041720A1

  公开（公告）日：2009-02-12

  The invention provides heteroaryl substituted thiazolo compounds of Formula I and II and pharmaceutically acceptable salts thereof. The variables A and R 3 to R 7 are defined herein. The invention also includes methods for preparing compounds and salts of Formula I and II. The present invention also includes pharmaceutical compositions containing heteroaryl substituted thiazolo compounds and methods for using heteroaryl substituted thiazolo compounds, including methods for using the compounds in the treatment of hepatitis C virus.