diisopropyl (2-(6-amino-2-oxo-4-(pyridin-2-yl)-1,3,5-triazin-1(2H)-yl)ethoxy)methylphosphonate | 1312671-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: diisopropyl (2-(6-amino-2-oxo-4-(pyridin-2-yl)-1,3,5-triazin-1(2H)-yl)ethoxy)methylphosphonate
• CAS: 1312671-20-7
• 化学式: C₁₇H₂₆N₅O₅P
• 分子量: 411.398
• InChiKey: JNEDQYJMGNDJMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  131.45
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  diisopropyl (2-(6-amino-2-oxo-4-(pyridin-2-yl)-1,3,5-triazin-1(2H)-yl)ethoxy)methylphosphonate 在 三甲基溴硅烷 、 氨 、 水 作用下， 以 乙腈 为溶剂， 以80%的产率得到(2-(6-amino-2-oxo-4-(pyridin-2-yl)-1,3,5-triazin-1(2H)-yl)ethoxy)methylphosphonic acid ammonium salt
  参考文献：
  名称：

  Synthesis of O2- and N3-(2-Phosphonomethoxy)ethyl Derivatives of 6-Phenyl- and 6-Pyridinyl-5-azacytosine

  摘要：

  A series of hydrolytically stable O-2- and N-3-(2-phosphonomethoxy)ethyl (PME) derivatives of 6-phenyl, pyridin-2, -3 and -4-yl-5-azacytosines was prepared by their alkylation with diisopropyl (2-chloroethoxy)methylphosphonate followed by the deprotection. No antitumor or antiviral activity was found except for 6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine (13d) which exhibited slight activity against feline herpesvirus in CrFK cell cultures with IC50 = 6.7 mu g/mL.

  DOI：

  10.3987/com-11-12137
• 作为产物：
  描述：

  2-氰基吡啶 在 caesium carbonate 、 溶剂黄146 、 potassium hydroxide 、 亚硝酸异戊酯 作用下， 以 甲乙醚 、 水 、 二甲基亚砜 为溶剂， 反应 4.33h， 生成 diisopropyl (2-(6-amino-2-oxo-4-(pyridin-2-yl)-1,3,5-triazin-1(2H)-yl)ethoxy)methylphosphonate
  参考文献：
  名称：

  Synthesis of O2- and N3-(2-Phosphonomethoxy)ethyl Derivatives of 6-Phenyl- and 6-Pyridinyl-5-azacytosine

  摘要：

  A series of hydrolytically stable O-2- and N-3-(2-phosphonomethoxy)ethyl (PME) derivatives of 6-phenyl, pyridin-2, -3 and -4-yl-5-azacytosines was prepared by their alkylation with diisopropyl (2-chloroethoxy)methylphosphonate followed by the deprotection. No antitumor or antiviral activity was found except for 6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine (13d) which exhibited slight activity against feline herpesvirus in CrFK cell cultures with IC50 = 6.7 mu g/mL.

  DOI：

  10.3987/com-11-12137