2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-ethoxycarbonyl-phosphinic acid | 769118-64-1

• 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: 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-ethoxycarbonyl-phosphinic acid
• 英文别名: 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-ethoxycarbonylphosphinic acid
• CAS: 769118-64-1
• 化学式: C₁₁H₁₆N₅O₇P
• 分子量: 361.251
• InChiKey: YAXITXMIECZPKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  167
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-ethoxycarbonyl-phosphinic acid 在 氨 作用下， 以 水 为溶剂， 反应 36.0h， 以41%的产率得到
  参考文献：
  名称：

  The Synthesis and Antiherpetic Activity of Acyclovir Phosphonate Esters

  摘要：

  Alkyl esters of acyclovir phosphite, alkoxycarbonylphosphonate, ethoxycarbonylmethylphosphonate, and aminocarbonylphosphonate were synthesized. Most of them were shown to inhibit the replication of type I herpes simplex virus in Vero cell culture. The stability in phosphate buffer and human blood serum was studied for several of the derivatives. A correlation between the stability and antiviral activity of the synthesized compounds is discussed.

  DOI：

  10.1023/b:rubi.0000049770.51092.76
• 作为产物：
  描述：

  阿昔洛韦 、 ethoxycarbonylphosphonic acid 在 吡啶 、 三甲基乙酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以75%的产率得到2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-ethoxycarbonyl-phosphinic acid
  参考文献：
  名称：

  The Synthesis and Antiherpetic Activity of Acyclovir Phosphonate Esters

  摘要：

  Alkyl esters of acyclovir phosphite, alkoxycarbonylphosphonate, ethoxycarbonylmethylphosphonate, and aminocarbonylphosphonate were synthesized. Most of them were shown to inhibit the replication of type I herpes simplex virus in Vero cell culture. The stability in phosphate buffer and human blood serum was studied for several of the derivatives. A correlation between the stability and antiviral activity of the synthesized compounds is discussed.

  DOI：

  10.1023/b:rubi.0000049770.51092.76