cyclopentyl ((S)-1-((2S,4R)-4-azido-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate | 1040264-91-2

• 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: cyclopentyl ((S)-1-((2S,4R)-4-azido-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
• CAS: 1040264-91-2
• 化学式: C₂₆H₃₉N₇O₇S
• 分子量: 593.704
• InChiKey: CFBBPFJBXYNZJS-PTFDIYEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.02
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  199.74
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-氯苯乙炔 、 cyclopentyl ((S)-1-((2S,4R)-4-azido-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate 在 copper(II) sulfate 、 维生素 C 作用下， 以 水 、 叔丁醇 为溶剂， 反应 14.0h， 生成 cyclopentyl N-[(1S)-1-[(2S,4R)-4-[4-(4-chlorophenyl)triazol-1-yl]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate
  参考文献：
  名称：

  Potent triazolyl-proline-based inhibitors of HCV NS3 protease

  摘要：

  The design and synthesis of tripeptide-based inhibitors of the HCV NS3 protease containing a novel P2-triazole is described. Replacement of the P2 quinoline with a triazole moiety provided a versatile handle which could be expediently modified to generate a diverse series of inhibitors. Further refinement by the incorporation of an aryl-substituted triazole and replacement of the P1 acid with an acyl sulfonamide ultimately provided inhibitors with interesting cellular activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.012