[1-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]methoxymethylphosphonic acid | 1085516-49-9

• 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: [1-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]methoxymethylphosphonic acid
• CAS: 1085516-49-9
• 化学式: C₁₁H₁₇N₂O₆P
• 分子量: 304.24
• InChiKey: DJENJLMZEMVPJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[1-(diisopropoxyphosphorylmethoxymethyl)cyclopropylmethyl]thymine 在 三甲基溴硅烷 作用下， 以 二氯甲烷 为溶剂， 以69%的产率得到[1-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]methoxymethylphosphonic acid
  参考文献：
  名称：

  Design, Synthesis and Anti-HIV Activity of Homologous PMEA Derivatives

  摘要：

  This article describes an efficient route for synthesizing novel cyclopropyl homologous PMEA analogues. The condensation of the bromide 8 with nucleosidic bases (A, U, T, C, 5-FU, G) under standard nucleophilic substitution and deprotection conditions, afforded the target phosphonic acid analogues 14 similar to 18 and 21. These compounds were evaluated for their potential antiviral properties against various viruses. Guanine derivative 21 showed significant antiviral activity.

  DOI：

  10.1080/15257770701795953

文献信息

• Design, Synthesis and Anti-HIV Activity of Homologous PMEA Derivatives
  作者：Chang Hyun Oh、Joon Hee Hong

  DOI：10.1080/15257770701795953

  日期：2008.1.18

  This article describes an efficient route for synthesizing novel cyclopropyl homologous PMEA analogues. The condensation of the bromide 8 with nucleosidic bases (A, U, T, C, 5-FU, G) under standard nucleophilic substitution and deprotection conditions, afforded the target phosphonic acid analogues 14 similar to 18 and 21. These compounds were evaluated for their potential antiviral properties against various viruses. Guanine derivative 21 showed significant antiviral activity.