8-ethylethylenedioxopyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 8-ethylethylenedioxopyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide
• 英文别名: 8-(2-Ethoxyethoxy)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
• 化学式: C₁₃H₁₄N₄O₃
• 分子量: 274.279
• InChiKey: UVACNYLLXKQTHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-ethylethylenedioxopyrazolo<5,1-c><1,2,4>benzotriazine 5-oxide 在 溴 作用下， 以 氯仿 为溶剂， 以90%的产率得到3-bromo-8-ethylethylenedioxopyrazolo<5,1-c><1,24>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
• 作为产物：
  描述：

  乙二醇乙醚 、 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide 在 sodium hydroxide 作用下， 反应 48.0h， 以45%的产率得到8-ethylethylenedioxopyrazolo<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

文献信息

• 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
  作者：G Guerrini、A Costanzo、F Bruni、S Selleri、L Casilli、L Giusti、C Martini、A Lucacchini、P Malmberg Aiello、A Ipponi

  DOI：10.1016/0223-5234(96)80363-1

  日期：1996.1

  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.