methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(2H-tetrazol-5-yl)pyrrolidine-2-carboxylate | 1008363-23-2

• 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: methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(2H-tetrazol-5-yl)pyrrolidine-2-carboxylate
• CAS: 1008363-23-2
• 化学式: C₁₈H₃₀N₆O₅
• 分子量: 410.473
• InChiKey: MNGLRIXLMRINPW-GRYCIOLGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (3-Ethenyl-4-methoxyphenyl)boronic acid 、 methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(2H-tetrazol-5-yl)pyrrolidine-2-carboxylate 在 copper diacetate 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-[2-(3-ethenyl-4-methoxyphenyl)tetrazol-5-yl]pyrrolidine-2-carboxylate
  参考文献：
  名称：

  MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS

  摘要：

  本发明涉及具有化学式I、II、III或IV的化合物，或其药用可接受的盐、酯或前药：这些化合物抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰乙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包括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受试者施用包含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：

  US20090142299A1

文献信息

• WO2008/21733
  申请人：——

  公开号：——

  公开（公告）日：——
• TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Sun Ying

  公开号：US20090035268A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds of Formula I, II, III or IV, or pharmaceutically acceptable salts, esters or prodrugs thereof: which can inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. 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 a compound of the present invention.
• US8304385B2
  申请人：——

  公开号：US8304385B2

  公开（公告）日：2012-11-06
• [EN] MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS MACROCYCLIQUES À RADICAL TÉTRAZOLYLE DE LA SÉRINE PROTÉASE DU VIRUS DE L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2009064955A1

  公开（公告）日：2009-05-22

  The present invention relates to compounds of Formula (I), (II), (III) or (IV), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. 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 a compound of the present invention.