9-(2-hydroxyethoxymethyl)guanine N,N-dipropylamidophosphate | 1380399-25-6

• 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: 9-(2-hydroxyethoxymethyl)guanine N,N-dipropylamidophosphate
• 英文别名: 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid
• CAS: 1380399-25-6
• 化学式: C₁₄H₂₅N₆O₅P
• 分子量: 388.363
• InChiKey: ISRNHQNGQKRGCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  阿昔洛韦 在 磷酸三乙酯 、 水 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 生成 9-(2-hydroxyethoxymethyl)guanine N,N-dipropylamidophosphate
  参考文献：
  名称：

  Phosphoramidate derivatives of acyclovir, inhibitors of herpes virus replication

  摘要：

  A series of new acyclovir phosphoramidates-potential antiviral agents against resistant strains of herpes virus-was synthesized. Of several approaches used for their synthesis, the treatment of the intermediate phosphorochloridate with various amines proved to be optimal. Two of the synthesized compounds were moderately active against HSV-1.

  DOI：

  10.1134/s1068162011050190

文献信息

• Phosphoramidate derivatives of acyclovir, inhibitors of herpes virus replication
  作者：N. F. Zakirova、A. V. Shipitsyn、M. V. Jasko、S. N. Kochetkov

  DOI：10.1134/s1068162011050190

  日期：2011.9

  A series of new acyclovir phosphoramidates-potential antiviral agents against resistant strains of herpes virus-was synthesized. Of several approaches used for their synthesis, the treatment of the intermediate phosphorochloridate with various amines proved to be optimal. Two of the synthesized compounds were moderately active against HSV-1.