| 1058035-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1058035-66-7
• 化学式: C₁₀H₁₆FN₂O₆P
• 分子量: 310.219
• InChiKey: VDMKXZLEHRPYBW-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  20.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  110.88
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (S)-1-{2-[(diisopropoxyphosphoryl)methoxy]-3-fluoropropyl}-4-methoxy-5-methylpyrimidin-2(1H)-one 在 三甲基溴硅烷 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Syntheses of Pyrimidine Acyclic Nucleoside Phosphonates as Potent Inhibitors of Thymidine Phosphorylase (PD-ECGF) from SD-Lymphoma

  摘要：

  In the present study, we synthesized a series of pyrimidine acyclic nucleoside phosphonates bearing a number of substituents in C-5 position of uracil moiety and in the N-1-side chain. In addition, we have investigated in particular the novel syntheses of fluorinated derivatives substituted in the N-1-side chain and uracil C-5 position because fluorine-containing substituents are often powerful modifiers of chemical and biological properties. The obtained compounds exhibit a considerable inhibitory potency of thymidine phosphorylase from SD-lymphoma. In contrast, the synthesized phosphonates are not efficient inhibitors of E. coli and human thymidine phosphorylase.

  DOI：

  10.1080/15257770701508679