cis-5'-O-[4-(3-fluoro-4-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorin-2-yl]-2'-C-methyladenosine | 926654-11-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: cis-5'-O-[4-(3-fluoro-4-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorin-2-yl]-2'-C-methyladenosine
• 英文别名: (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[4-(4-chloro-3-fluorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-3-methyloxolane-3,4-diol；(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[4-(4-chloro-3-fluorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-3-methyloxolane-3,4-diol
• CAS: 926654-11-7
• 化学式: C₂₀H₂₂ClFN₅O₇P
• 分子量: 529.849
• InChiKey: XGMPYTOBKRCOBA-HTFPCSPNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives
  申请人：Erion Mark D.

  公开号：US20090118223A1

  公开（公告）日：2009-05-07

  Novel 2′-C-methyl nucleoside 5′-monophosphate and 4′-C-methyl nucleoside 5′-monophosphate derivatives, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of hepatitis C viral infection are described.