[(2R)-1-fluoro-3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propan-2-yl]oxymethylphosphonic acid | 1017610-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [(2R)-1-fluoro-3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propan-2-yl]oxymethylphosphonic acid
• CAS: 1017610-24-0
• 化学式: C₉H₁₄FN₂O₆P
• 分子量: 296.192
• InChiKey: KKCPAOBHNIJIQZ-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 [(2R)-1-fluoro-3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propan-2-yl]oxymethylphosphonic acid
  参考文献：
  名称：

  Syntheses of N3-substituted thymine acyclic nucleoside phosphonates and a comparison of their inhibitory effect towards thymidine phosphorylase

  摘要：

  A series of N-3-substituted thymine acyclic nucleoside phosphonates bearing a number of ( phosphonomethoxy) alkyl groups were synthesized and investigated for their ability to inhibit the human thymidine phosphorylase expressed in V79 Chinese hamster cells, as well as thymidine phosphorylase from SD-lymphoma, Escherichia coli and human placenta. In comparison to N-1- substituted analogues which possess a considerable inhibitory activity towards thymidine phosphorylase from SD-lymphoma, the results showed a marginal inhibitory effect of these compounds. None of the presented N-3-substituted derivatives possess a significant cytostatic activity. (c) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.01.006