4-Amino-1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; phosphonoformic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 4-Amino-1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; phosphonoformic acid
• 英文别名: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;phosphonoformic acid
• 化学式: C10H16N3O8P
• 分子量: 337.22
• InChiKey: ZTTHSHUACFXMBD-QDOHZIMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.66
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• [EN] PRODRUGS OF DRUG-PHOSPHATE CONJUGATES AND ANALOGS THEREOF<br/>[FR] PROMEDICAMENTS CONTENANT DES CONJUGUES DE PHOSPHATE-MEDICAMENT ET DES ANALOGUES DE CEUX-CI
  申请人：PURDUE RESEARCH FOUNDATION

  公开号：WO2006037090A2

  公开（公告）日：2006-04-06

  Phosphate-substituted therapeutic compounds and analogs thereof that may serve as prodrugs are described. The prodrugs may include phosphorus-containing compounds, drug-phosphate conjugates, and analogs of drug-phosphate conjugates. Also described are analogs of drugs, including phosphorylated drugs, where the linker connecting the phosphate fragment to the drug fragment is other than oxygen, such as but not limited to linkers forming phosphoramidates, phosphonates, difluorophosphonates, oxophosphonates, and the like.