4-amino-7-(3'-O-acetyl-cis-5'-O-[4-(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine | 926654-48-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 吡咯并嘧啶核苷和核苷酸
• 英文名称: 4-amino-7-(3'-O-acetyl-cis-5'-O-[4-(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
• 英文别名: [(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-4-hydroxy-4-methyloxolan-3-yl] acetate；[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-4-hydroxy-4-methyloxolan-3-yl] acetate
• CAS: 926654-48-0
• 化学式: C₂₃H₂₆ClN₄O₈P
• 分子量: 552.908
• InChiKey: ULACCTZYIVSNOL-AAWVRXCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  11

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.