cis-5'-O-[6-(pyridin-4-yl)-4,4-dimethyl-2-oxo-1,2,3-dioxaphosphorin-2-yl]-2',3'-O-carbonyl-2'-C-methyladenosine | 926654-75-3

• 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-[6-(pyridin-4-yl)-4,4-dimethyl-2-oxo-1,2,3-dioxaphosphorin-2-yl]-2',3'-O-carbonyl-2'-C-methyladenosine
• 英文别名: (3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-6-[(4,4-dimethyl-2-oxo-6-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl)oxymethyl]-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one；(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-6-[(4,4-dimethyl-2-oxo-6-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl)oxymethyl]-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
• CAS: 926654-75-3
• 化学式: C₂₂H₂₅N₆O₈P
• 分子量: 532.45
• InChiKey: OBGAXLNWJXHIGK-DMHQFKDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  172
• 氢给体数：
  1
• 氢受体数：
  13

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.