methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1-(phosphonooxymethyl)benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1-(phosphonooxymethyl)benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate | 1415120-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1-(phosphonooxymethyl)benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1-(phosphonooxymethyl)benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• CAS: 1415120-30-7
• 化学式: C₆₂H₇₈N₈O₁₄P₂
• 分子量: 1221.29
• InChiKey: WETUMJCOAUMTBO-DGJBNRFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  86
• 可旋转键数：
  18
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  286
• 氢给体数：
  6
• 氢受体数：
  16

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：US20160113907A1

  公开（公告）日：2016-04-28

  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族化合物、环芳烃、杂环芳烃、杂杂环芳烃和金属茂的化合物，其化学式为ID-M-D  (式I)，可作为抗病毒剂使用。在本公开的某些实施例中，M是一个由—P-A-P—组成的基团，其中A是某些代替的脂肪族化合物、环芳烃、杂环芳烃、杂杂环芳烃和金属茂是有效的和/或选择性抑制病毒复制，特别是乙型肝炎病毒复制的抑制剂。本公开还提供了含有一种或多种代替脂肪族化合物、环芳烃、杂环芳烃、杂杂环芳烃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。本公开还提供了治疗病毒感染，包括乙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：EP3059241A1

  公开（公告）日：2016-08-24

  Provided is a compound having a structure selected from the group consisting of: which are intermediates in the preparation of Carbamic acid, N,N'-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diyl bis [1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethane diyl]]] bis-, C,C'-dimethyl ester, which is a Hepatitis C virus NS5a (HCV NS5a) protease replication inhibitor

  本发明提供了一种化合物，其结构选自由以下组成的组： 是制备氨基甲酸的中间体、 N,N'-[三环[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diyl bis [1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-乙烷二基]]双 C,C'-二甲酯，它是一种丙型肝炎病毒 NS5a（HCV NS5a）蛋白酶复制抑制剂
• 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