methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate | 1415119-69-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate
• CAS: 1415119-69-5
• 化学式: C₇₀H₇₂N₈O₆
• 分子量: 1121.39
• InChiKey: ACKDRWYMLANQOS-CPXCPIECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  84
• 可旋转键数：
  14
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  175
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS
  申请人：Wiles Jason Allan

  公开号：US20120302538A1

  公开（公告）日：2012-11-29

  The present disclosure provides substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes, of Formula I D-M-D  (Formula I) useful as antiviral agents. In certain embodiments disclosed herein M is a group —P-A-P— where A is Certain substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. Pharmaceutical compositions/ and combinations containing one or more substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes and a pharmaceutically acceptable carrier are also provided by this disclosure. Methods for treating viral infections, including Hepatitis C viral infections are provided by the disclosure.

  本公开提供了替代脂环烷、环烷、杂环烷、杂脂环烷、杂杂环烷和金属茂的化合物，其化学式为ID-M-D（化学式I），用作抗病毒剂。在本公开的某些实施例中，M是一个基团—P-A-P—，其中A是。本公开披露的某些替代脂环烷、环烷、杂环烷、杂脂环烷、杂杂环烷和金属茂是病毒复制的有效和/或选择性抑制剂，特别是对乙型肝炎病毒复制。本公开还提供了含有一种或多种替代脂环烷、环烷、杂环烷、杂脂环烷、杂杂环烷和金属茂以及药用载体的药物组合物/和配方。本公开提供了治疗病毒感染，包括乙型肝炎病毒感染的方法。
• SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20180055824A1

  公开（公告）日：2018-03-01

  The present disclosure provides substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes, of Formula I D-M-D   (Formula I) useful as antiviral agents. In certain embodiments disclosed herein M is a group —P-A-P— where A is Certain substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. Pharmaceutical compositions/and combinations containing one or more substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes and a pharmaceutically acceptable carrier are also provided by this disclosure. Methods for treating viral infections, including Hepatitis C viral infections are provided by the disclosure.

  本公开提供了代替脂肪烷，环烷，杂环烷，杂环烷，杂-杂环烷和金属茂的化合物，其化学式为ID-M-D（化学式I），可用作抗病毒剂。在本文中披露的某些实施例中，M是一个组- P-A-P-，其中A是某些代替脂肪烷，环烷，杂环烷，杂环烷，杂-杂环烷和金属茂，是病毒复制的有效和/或选择性抑制剂，特别是丙型肝炎病毒复制的抑制剂。本公开还提供了含有一个或多个代替脂肪烷，环烷，杂环烷，杂环烷，杂-杂环烷和金属茂以及药学上可接受的载体的制药组合物/和组合物。本公开还提供了用于治疗病毒感染，包括丙型肝炎病毒感染的方法。
• INTERMEDIATES IN THE PREPARATION OF A BIS(BENZIMIDAZOLE)CYCLOPHANE DERIVATIVE
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：EP3059241B1

  公开（公告）日：2017-11-01
• US8809313B2
  申请人：——

  公开号：US8809313B2

  公开（公告）日：2014-08-19
• US9273082B2
  申请人：——

  公开号：US9273082B2

  公开（公告）日：2016-03-01