propan-2-yl (2S)-2-[[[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-4-(1-sulfanyloxycyclopentyl)oxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: propan-2-yl (2S)-2-[[[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-4-(1-sulfanyloxycyclopentyl)oxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
• 化学式: C₂₇H₃₈N₃O₉PS₂
• 分子量: 643.7
• InChiKey: KLIJUJMKVUKELT-CVSMNQQLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  42
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  167
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• [EN] PHARMACEUTICAL COMPOSITIONS<br/>[FR] COMPOSITIONS PHARMACEUTIQUES
  申请人：VERTEX PHARMA

  公开号：WO2014134251A1

  公开（公告）日：2014-09-04

  Described herein are compositions that can include Compound 1 or Form J of Compound 1, or a pharmaceutically acceptable salt of the aforementioned compounds. Also, described herein is a method of treating a HCV infection in a subject that can include administering to the subject a composition that includes Compound 1 or Form J of Compound 1, or a pharmaceutically acceptable salt of the aforementioned compounds.