ethyl 1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate | 1001666-95-0

• 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: ethyl 1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
• CAS: 1001666-95-0
• 化学式: C₄₁H₅₁N₃O₈
• 分子量: 713.871
• InChiKey: DMVRESBRSIPGNZ-UHIAZKTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  52
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  ethyl 1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到(3S)-3-((2S,4R)-2-(1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yloxy)pyrrolidine-1-carbonyl)-4,4-dimethylpentanoic acid
  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
• 作为产物：
  描述：

  ethyl 1-((2S,4R)-4-((7-methoxy-2-phenylquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylate hydrochloride 、 (2S)-3,3-二甲基-2-{2-[(2-甲基-2-丙基)氧基]-2-氧代乙基}丁酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到ethyl 1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
  参考文献：
  名称：

  4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION

  摘要：

  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。

  公开号：

  US20090048297A1

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。
• MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION
  申请人：Phadke Avinash

  公开号：US20110070168A1

  公开（公告）日：2011-03-24

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

  公开号：US20140113890A1

  公开（公告）日：2014-04-24

  The invention provides 4-amino-4-oxobutanoyl peptides of Formula I and the pharmaceutically salts and hydrates thereof. The variables R, R 1 , R 6 -R 8 , R 16 , R 18 , R 19 , M, n, T, Y, and Z are defined herein. Certain compounds of Formula I are useful as antiviral agents. The 4-amino-4-oxobutanoyl peptides 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 peptides and one or more pharmaceutically acceptable carriers. Such pharmaceutical compositions may contain a 4-amino-4-oxobutanoyl peptides as the only active agent or may contain a combination of a 4-amino-4-oxobutanoyl peptides and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections.
• US7906619B2
  申请人：——

  公开号：US7906619B2

  公开（公告）日：2011-03-15
• US8785378B2
  申请人：——

  公开号：US8785378B2

  公开（公告）日：2014-07-22