4-amino-7-(2',3'-O-carbonyl-cis-5'-O-[4-(S)-(pyridin-4-yl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine | 926654-50-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-amino-7-(2',3'-O-carbonyl-cis-5'-O-[4-(S)-(pyridin-4-yl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
• 英文别名: (3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3a-methyl-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one；(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3a-methyl-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
• CAS: 926654-50-4
• 化学式: C₂₁H₂₂N₅O₈P
• 分子量: 503.408
• InChiKey: FUNGHHANYSTSSJ-DNKMUZRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  159
• 氢给体数：
  1
• 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.