N-(4-methoxyphenyl)-4-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine | 1240157-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-methoxyphenyl)-4-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
• CAS: 1240157-99-6
• 化学式: C₁₂H₈Cl₃N₅O₃
• 分子量: 376.586
• InChiKey: PUBGPSWJIFXDBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-甲氨基吡啶 、 N-(4-methoxyphenyl)-4-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine 以 四氢呋喃 为溶剂， 以76%的产率得到3-{4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl}-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-amine
  参考文献：
  名称：

  New functionalized aminofurazans as potential antimitotic agents in the sea urchin embryo assay

  摘要：

  A series of new furazan (1,2,5-oxadiazole) derivatives based on structural overlap with combretastatin have been synthesized. Targeted molecules were evaluated using the sea urchin embryo assay; several agents demonstrated 1-4 mu mol dm(-3) antiproliferative activity in this in vivo model.

  DOI：

  10.1016/j.mencom.2010.05.002
• 作为产物：
  描述：

  甲氧苯胺 在 三乙胺 、 potassium hydroxide 作用下， 以 乙酸丁酯 、 乙二醇 为溶剂， 生成 N-(4-methoxyphenyl)-4-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
  参考文献：
  名称：

  New functionalized aminofurazans as potential antimitotic agents in the sea urchin embryo assay

  摘要：

  A series of new furazan (1,2,5-oxadiazole) derivatives based on structural overlap with combretastatin have been synthesized. Targeted molecules were evaluated using the sea urchin embryo assay; several agents demonstrated 1-4 mu mol dm(-3) antiproliferative activity in this in vivo model.

  DOI：

  10.1016/j.mencom.2010.05.002