[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(1-methylpyrrolidin-1-ium-1-yl)phosphinic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(1-methylpyrrolidin-1-ium-1-yl)phosphinic acid
• 化学式: C14H24N6O3P+
• 分子量: 355.35
• InChiKey: KVXOZYDWBXVBIL-LLVKDONJSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS<br/>[FR] COMPOSITIONS ET MÉTHODES DE DÉRIVATION DE KINASES NUCLÉOSIDIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2014088923A1

  公开（公告）日：2014-06-12

  The present invention relates to disulfide masked prodrug compounds, compositions and methods that are amenable to bioactivation by a reducing agent such as glutathione. Such disulfide based compounds, compositions, and methods can be useful, for example, in providing novel prodrugs for use as therapeutics. The compounds feature a conformationally restricted disulfide phosphotriester moiety to mask anionic charge. The compounds include a 1,2-dithigne moiety.