2(R)-(2-amino-6-(3-methylbutyloxy)-9(H)-purinyl)-4(R)-(4(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2(R)-yloxymethyl)-1(R)-methyl-7-oxo-3,6,8-trioxa-cis-bicyclo[3.3.0]octane | 1447584-38-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2(R)-(2-amino-6-(3-methylbutyloxy)-9(H)-purinyl)-4(R)-(4(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2(R)-yloxymethyl)-1(R)-methyl-7-oxo-3,6,8-trioxa-cis-bicyclo[3.3.0]octane
• 英文别名: (3aR,4R,6R,6aR)-4-[2-amino-6-(3-methylbutoxy)purin-9-yl]-6-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-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-[2-amino-6-(3-methylbutoxy)purin-9-yl]-6-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
• CAS: 1447584-38-4
• 化学式: C₂₆H₃₁ClN₅O₉P
• 分子量: 623.987
• InChiKey: FPCSDPCIEYNPKS-UDOAXKSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  168
• 氢给体数：
  1
• 氢受体数：
  13

文献信息

• NOVEL 2'-C-METHYL NUCLEOSIDE DERIVATIVE COMPOUNDS
  申请人：Ligand Pharmaceuticals Incorporated

  公开号：US20140356325A1

  公开（公告）日：2014-12-04

  Compositions and methods relating to 2′-C-methyl nucleoside 5′-monophosphate derivative compounds are provided. In some embodiments, the novel compounds are useful to treat viral infections. In particular, 2′-C-methyl nucleoside 5′-monophosphate derivative compounds, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of viral infection are described.