2(R)-(2-amino-6-(2-methylpropyloxy)-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 | 1447584-18-0

• 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-(2-methylpropyloxy)-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-(2-methylpropoxy)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-(2-methylpropoxy)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: 1447584-18-0
• 化学式: C₂₅H₂₉ClN₅O₉P
• 分子量: 609.96
• InChiKey: OTEDNLWTXOVSGU-XAZSPLICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  168
• 氢给体数：
  1
• 氢受体数：
  13

文献信息

• [EN] 2 '-C-METHYL NUCLEOSIDES CONTAINING A CYCLIC PHOSPHATE DIESTER OF 1, 3-PROPANEDIOL (2-OXO-[1, 3, 2]-DIOXAPHOSPHORINANE) AT POSITION 5'<br/>[FR] NUCLÉOSIDES 2'-C-MÉTHYL COMPRENANT UN DIESTER DE PHOSPHATE CYCLIQUE DE 1,3-PROPANEDIOL (2-OXO-[1,3,2]-DIOXAPHOSPHORINANE À LA POSITION 5'
  申请人：LIGAND PHARM INC

  公开号：WO2013106344A1

  公开（公告）日：2013-07-18

  2'-C-methyl nucleosides containing a 5'-monophosphate ester (a cyclic phosphate ester of 1,3-propanediol or 2-oxo-[1,3,2]-dioxaphos-phorinane) Compositions and methods relating to 2'-C-methyl nucleosides containing a 5'-monophosphate ester (a cyclic phosphate ester of 1,3-propanediol or 2-oxo-[1,3,2]-dioxaphosphorinane) 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 hepatitis C virus (HCV) are described. The compounds have the following formulas:

  提供了与2'-C-甲基核苷酸含有5'-单磷酸酯（1,3-丙二醇环状磷酸酯或2-氧-[1,3,2]-二氧杂磷杂环磷酸酯）相关的组合物和方法。在某些实施例中，这些新型化合物有助于治疗病毒感染。具体地，描述了2'-C-甲基核苷酸5'-单磷酸衍生物化合物、立体异构体及其药学上可接受的盐或前药的制备以及它们用于治疗丙型肝炎病毒（HCV）的用途。这些化合物具有以下公式：
• 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.