tert-butyl (2S)-2-[5-[4-[4-[(2S,8S)-8-(methoxycarbonylamino)-7-oxo-15-oxa-6,19,20-triazatricyclo[15.2.1.02,6]icosa-1(19),17-dien-18-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate | 1319190-69-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: tert-butyl (2S)-2-[5-[4-[4-[(2S,8S)-8-(methoxycarbonylamino)-7-oxo-15-oxa-6,19,20-triazatricyclo[15.2.1.02,6]icosa-1(19),17-dien-18-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
• CAS: 1319190-69-6
• 化学式: C₄₂H₅₃N₇O₆
• 分子量: 751.926
• InChiKey: ZGIKMTFGTYIPIR-NNUTVPELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  55
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (S)-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromophenyl)-2-oxoethyl]ester 1-tert-butyl ester 在 四(三苯基膦)钯 、 palladium hydroxide, 20 wt% on carbon ammonium acetate 、 氢气 、 potassium acetate 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 甲醇 、 乙二醇二甲醚 、 水 、 甲苯 为溶剂， 20.0~100.0 ℃ 、413.7 kPa 条件下， 反应 29.0h， 生成 tert-butyl (2S)-2-[5-[4-[4-[(2S,8S)-8-(methoxycarbonylamino)-7-oxo-15-oxa-6,19,20-triazatricyclo[15.2.1.02,6]icosa-1(19),17-dien-18-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] HEPATITIS C VIRUS INHIBITORS
  [FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C

  摘要：

  本发明揭示了化合物的结构式（I），及其在药学上可接受的盐、酯或前药：Q-G-A-L-B-W（I），其抑制RNA含量病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，同时也可用作抗病毒药物。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。

  公开号：

  WO2011091417A1

文献信息

• HEPATITIS C VIRUS INHIBITORS
  申请人：Qiu Yao-Ling

  公开号：US20110189129A1

  公开（公告）日：2011-08-04

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: Q-G-A-L-B—W  (I), 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.
• Hepatitis C Virus Inhibitors
  申请人：Qiu Yao-Ling

  公开号：US20120076755A1

  公开（公告）日：2012-03-29

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: Q-G-A-L-B-W  (I), 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.
• US8785487B2
  申请人：——

  公开号：US8785487B2

  公开（公告）日：2014-07-22
• US8933110B2
  申请人：——

  公开号：US8933110B2

  公开（公告）日：2015-01-13
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2011091417A1

  公开（公告）日：2011-07-28

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: Q-G-A-L-B-W (I) 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.

  本发明揭示了化合物的结构式（I），及其在药学上可接受的盐、酯或前药：Q-G-A-L-B-W（I），其抑制RNA含量病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，同时也可用作抗病毒药物。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。