(2R,5S)-1-(4-tert-butylbenzoyl)-3-(carboxymethylcarbamoyl)-5-isobutyl-2-thiazol-2-yl-2H-pyrrole-5-carboxylic acid

• 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: (2R,5S)-1-(4-tert-butylbenzoyl)-3-(carboxymethylcarbamoyl)-5-isobutyl-2-thiazol-2-yl-2H-pyrrole-5-carboxylic acid
• 英文别名: (2R,5S)-1-(4-tert-butylbenzoyl)-3-(carboxymethylcarbamoyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid
• 化学式: C₂₆H₃₁N₃O₆S
• 分子量: 513.6
• InChiKey: VYNODQAQFMFQSV-IBVKSMDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  165
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Acyl dihydro pyrrole derivatives as hcv inhibitors
  申请人：Bravi Gianpaolo

  公开号：US20050009873A1

  公开（公告）日：2005-01-13

  Novel anti-viral agents of Formula (I) wherein: A represents OR 1 , NR 1 R 2 , or R 1 wherein R 1 and R 2 are hydrogen, C 1-6 alkyl, aryl, heteroaryl, arylalkyl, or heteroarylalkyl; or R 1 and R 2 together with the nitrogen atom to which they are attached form a 5 or 6 membered saturated cyclic group; B represents C(O)R 3 wherein R 3 is C 1-6 alkyl, aryl, heteroaryl, arylalkyl, or heteroarylalkyl; D represents C 1-6 alkyl, aryl, heteroaryl or heterocyclyl; E represents OR 1 , NR 1 R 2 , or R 1 wherein R 1 and R 2 are hydrogen, C 1-6 alkyl, aryl, heteroaryl, arylalkyl or heteroarylalkyl; or R 1 and R 2 together with the nitrogen atom to which they are attached form a 5 or 6 membered saturated cyclic group; F represents hydrogen, C 1-6 alkyl, aryl or heteroaryl; and G represents hydrogen, C 1-6 alkyl, heterocyclylalkyl, arylalkyl or heteroarylalkyl; and salts and solvates thereof, processes for their preparation and methods of using them in HCV treatment are provided.

  公式（I）的新型抗病毒药物，其中：A代表OR1，NR1R2或R1，其中R1和R2是氢，C1-6烷基，芳基，杂芳基，芳基烷基或杂芳基烷基；或R1和R2与它们附着的氮原子一起形成一个5或6成员饱和环；B代表C（O）R3，其中R3是C1-6烷基，芳基，杂芳基，芳基烷基或杂芳基烷基；D代表C1-6烷基，芳基，杂芳基或杂环基；E代表OR1，NR1R2或R1，其中R1和R2是氢，C1-6烷基，芳基，杂芳基，芳基烷基或杂芳基烷基；或R1和R2与它们附着的氮原子一起形成一个5或6成员饱和环；F代表氢，C1-6烷基，芳基或杂芳基；G代表氢，C1-6烷基，杂环烷基，芳基烷基或杂芳基烷基；以及它们的盐和溶剂合物，提供了其制备过程以及在HCV治疗中使用它们的方法。