(2S,4S,5R)-2-isobutyl-1-(3-methoxy-4-tert-butylbenzoyl)-4-(1-hydroxy-1-methylethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid | 687637-51-0

• 英文名称: (2S,4S,5R)-2-isobutyl-1-(3-methoxy-4-tert-butylbenzoyl)-4-(1-hydroxy-1-methylethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
• 英文别名: (2S,4S,5R)-1-(4-tert-butyl-3-methoxybenzoyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
• CAS: 687637-51-0
• 化学式: C₂₇H₃₈N₂O₅S
• 分子量: 502.675
• InChiKey: GNSKKEXPOIMGRA-FCDUAZGNSA-N

物化性质

• 沸点：
  668.3±55.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS<br/>[FR] DERIVES DE 1-ACYL-PYRROLIDINE DESTINES AU TRAITEMENT D'INFECTIONS VIRALES
  申请人：GLAXO GROUP LTD

  公开号：WO2004037818A1

  公开（公告）日：2004-05-06

  Anti-viral agents of Formula (I) wherein: A represents hydroxy; D represents aryl or heteroaryl; E represents hydrogen, C1-6alkyl, aryl, heteroaryl or heterocyclyl; G represents hydrogen or optionally substituted C1-6alkyl; J represents C1-6alkyl, heterocyclylalkyl, arylalkyl or heteroarylalkyl;and salts, solvates and esters thereof; provided that when A is esterified to form -OR where R is selected from straight or branched chain alkyl, aralkyl, aryloxyalkyl, or aryl, then R is other than tert-butyl;processes for their preparation, pharmaceutical compositions comprising them, and methods of using them in HCV treatment are provided.

  化学式（I）的抗病毒剂其中：A代表羟基；D代表芳基或杂芳基；E代表氢、C1-6烷基、芳基、杂芳基或杂环烷基；G代表氢或可选择地取代的C1-6烷基；J代表C1-6烷基、杂环烷基烷基、芳基烷基或杂芳基烷基；及其盐、溶剂合物和酯；提供它们的制备方法、包含它们的药物组合物以及在丙型肝炎病毒治疗中使用它们的方法。
• 1-Acyl-pyrrolidine derivatives for the treatment of viral infections
  申请人：Haigh David

  公开号：US20060258720A1

  公开（公告）日：2006-11-16

  Anti-viral agents of Formula (I) wherein: A represents hydroxy; D represents aryl or heteroaryl; E represents hydrogen, C 1-6 alkyl, aryl, heteroaryl or heterocyclyl; G represents hydrogen or optionally substituted C 1-6 alkyl; J represents C 1-6 alkyl, heterocyclylalkyl, arylalkyl or heteroarylalkyl; and salts, solvates and esters thereof; provided that when A is esterified to form —OR where R is selected from straight or branched chain alkyl, aralkyl, aryloxyalkyl, or aryl, then R is other than tert-butyl; processes for their preparation, pharmaceutical compositions comprising them, and methods of using them in HCV treatment are provided.

  公式（I）的抗病毒剂，其中： A代表羟基； D代表芳基或杂芳基； E代表氢、C1-6烷基、芳基、杂芳基或杂环基； G代表氢或可选择取代的C1-6烷基； J代表C1-6烷基、杂环基烷基、芳基烷基或杂芳基烷基； 以及其盐、溶剂化合物和酯；但当A被酯化形成-OR时，其中R为直链或支链烷基、芳基烷基、芳氧基烷基或芳基，则R不是叔丁基；提供了其制备方法、包括它们的制药组合物以及在HCV治疗中使用它们的方法。
• 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1554274A1

  公开（公告）日：2005-07-20
• US7304087B2
  申请人：——

  公开号：US7304087B2

  公开（公告）日：2007-12-04