[(1S,5R,6R)-3,3-dimethyl-1-[[6-methyl-2-[[1-(4-methylphenyl)cyclopropyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,4-dioxabicyclo[3.2.0]heptan-6-yl]methanol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧环庚烷
• 英文名称: [(1S,5R,6R)-3,3-dimethyl-1-[[6-methyl-2-[[1-(4-methylphenyl)cyclopropyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,4-dioxabicyclo[3.2.0]heptan-6-yl]methanol
• 化学式: C₂₉H₃₂N₆O₃S
• 分子量: 544.7
• InChiKey: YZLLTKMUYCNGHQ-HUCYYKTBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  143
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS
  申请人：Arasappan Ashok

  公开号：US20140242027A1

  公开（公告）日：2014-08-28

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein each of R, R 1 , X, Y, Z, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 18 , R 19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.