(S)-2-methoxycarbonylamino-1-((S)-6-(5-(4-((2-((S)-5-((S)-2-methoxycarbonylamino-3-methylbutanoyl)-5-azaspiror[2.4]heptan-6-yl)-1H-benzo[d]imidazol-6-yl)ethynyl)phenyl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methylbutan-1-one | 1242088-65-8

• 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: (S)-2-methoxycarbonylamino-1-((S)-6-(5-(4-((2-((S)-5-((S)-2-methoxycarbonylamino-3-methylbutanoyl)-5-azaspiror[2.4]heptan-6-yl)-1H-benzo[d]imidazol-6-yl)ethynyl)phenyl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methylbutan-1-one
• 英文别名: methyl N-[(2S)-1-[(6S)-6-[5-[4-[2-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• CAS: 1242088-65-8
• 化学式: C₄₄H₅₂N₈O₆
• 分子量: 788.947
• InChiKey: LBWDUXHLFJNSJJ-ZYADHFCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  58
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  175
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-((trimethylsilyl)ethynyl)benzene-1,2-diamine 在 盐酸 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 甲苯 、 乙腈 为溶剂， 反应 8.33h， 生成 (S)-2-methoxycarbonylamino-1-((S)-6-(5-(4-((2-((S)-5-((S)-2-methoxycarbonylamino-3-methylbutanoyl)-5-azaspiror[2.4]heptan-6-yl)-1H-benzo[d]imidazol-6-yl)ethynyl)phenyl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methylbutan-1-one
  参考文献：
  名称：

  [EN] PROCESSES FOR THE PREPARATION OF NOVEL BENZIMIDAZOLE DERIVATIVES
  [FR] PROCÉDÉS DE PRÉPARATION DE NOUVEAUX DÉRIVÉS DE BENZIMIDAZOLE

  摘要：

  公开号：

  WO2013059281A3

文献信息

• PROCESSES FOR THE PREPARATION OF NOVEL BENZIMIDAZOLE DERIVATIVES
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20140316143A1

  公开（公告）日：2014-10-23

  The present invention relates to processes and intermediates for the preparation of novel benzimidazole derivatives, especially in the synthesis of hepatitis C virus NS5A inhibitors. In particular, the present invention relates to processes and intermediates for the preparation of compounds of formulae (I-a):

  本发明涉及制备新型苯并咪唑衍生物的方法和中间体，尤其是在合成丙型肝炎病毒NS5A抑制剂方面。特别是，本发明涉及制备式（I-a）化合物的方法和中间体：
• Benzimidazole derivatives
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10017499B2

  公开（公告）日：2018-07-10

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式（I）化合物或其药学上可接受的盐、酯或原药： 它们能抑制含 RNA 的病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物可干扰丙型肝炎病毒的生命周期，也可用作抗病毒药物。本发明进一步涉及包含上述化合物的药物组合物，用于给丙型肝炎病毒感染者用药。本发明还涉及通过施用包含本发明化合物的药物组合物治疗受试者感染 HCV 的方法。
• NOVEL BENZIMIDAZOLE DERIVATIVES
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20140193363A1

  公开（公告）日：2014-07-10

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• US20140341851A1
  申请人：——

  公开号：US20140341851A1

  公开（公告）日：2014-11-20
• US8673954B2
  申请人：——

  公开号：US8673954B2

  公开（公告）日：2014-03-18