2,4-diamino-5-fluoro-7-[5'-(4-(S)-cis-and trans-(3-chlorophenyl)-1,3-dioxa-2-oxophosphorinan-2-yl)-2'-C-methyl-beta-D-ribofuranosyl]pyrrolo[2,3-d]pyrimidine | 926654-58-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-diamino-5-fluoro-7-[5'-(4-(S)-cis-and trans-(3-chlorophenyl)-1,3-dioxa-2-oxophosphorinan-2-yl)-2'-C-methyl-beta-D-ribofuranosyl]pyrrolo[2,3-d]pyrimidine
• 英文别名: (2R,3R,4R,5R)-5-[[4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-diamino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-3,4-diol；(2R,3R,4R,5R)-5-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-diamino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-3,4-diol
• CAS: 926654-58-2
• 化学式: C₂₁H₂₄ClFN₅O₇P
• 分子量: 543.876
• InChiKey: BSTKJIBJWOPVAX-JMAQBCBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  177
• 氢给体数：
  4
• 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.