8-hydrazinylpyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide | 177158-84-8

• 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: 8-hydrazinylpyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide
• 英文别名: (5-Oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-8-yl)hydrazine
• CAS: 177158-84-8
• 化学式: C₉H₈N₆O
• 分子量: 216.202
• InChiKey: IMCGZHGYNDYDNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-hydrazinylpyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide 在 双氧水 、 乙酸酐 、 溶剂黄146 、 锌 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 8.0h， 生成 8-acetylaminopyrazolo<5,1-c><1,2,4>benzotriazine 4-oxide
  参考文献：
  名称：

  Benzodiazepine receptor ligands. Synthesis and pharmacological evaluation of 3-, 7- and 8-substituted [5,1-c][1,2,4]benzotriazines and 5-oxide derivatives. Part I

  摘要：

  A new series of 3-, 7- and 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides and a series of pyrazolo[5,1-c][1,2,4]benzotriazines were synthesized and their benzodiazepine receptor affinities were evaluated in vitro. A study of structure-affinity relationships within the series is briefly discussed, considering the role of various substituents at the 3-, 7- and 8-positions and the role of N-5-oxide. Compounds 1b, 1c, 1cR, 4c, 4cR, 9d, 12d and 12dR were evaluated in vivo for their anticonvulsant effects.

  DOI：

  10.1016/0223-5234(96)80363-1
• 作为产物：
  描述：

  8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide 在 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以45%的产率得到8-hydrazinylpyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide
  参考文献：
  名称：

  Benzodiazepine receptor ligands. Synthesis and pharmacological evaluation of 3-, 7- and 8-substituted [5,1-c][1,2,4]benzotriazines and 5-oxide derivatives. Part I

  摘要：

  A new series of 3-, 7- and 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides and a series of pyrazolo[5,1-c][1,2,4]benzotriazines were synthesized and their benzodiazepine receptor affinities were evaluated in vitro. A study of structure-affinity relationships within the series is briefly discussed, considering the role of various substituents at the 3-, 7- and 8-positions and the role of N-5-oxide. Compounds 1b, 1c, 1cR, 4c, 4cR, 9d, 12d and 12dR were evaluated in vivo for their anticonvulsant effects.

  DOI：

  10.1016/0223-5234(96)80363-1