7-chloropyrazolo[5,1-c][1,2,4]benzotriazine | 177158-57-5

• 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: 7-chloropyrazolo[5,1-c][1,2,4]benzotriazine
• CAS: 177158-57-5
• 化学式: C₉H₅ClN₄
• 分子量: 204.619
• InChiKey: QLPIPPVWEJEJMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-chloropyrazolo[5,1-c][1,2,4]benzotriazine 在 双氧水 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 以48%的产率得到7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-ol
  参考文献：
  名称：

  Benzodiazepine receptor ligands — Part II. Synthesis and biological evaluation of pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxide

  摘要：

  A new series of 3-, 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxides 3 were synthesized and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison with their 5-oxide isomers 2. The 4-oxide compounds 3c,m,n,o showed a better receptor affinity than their corresponding 5-oxide isomers, with an efficacy trend of antagonist/partial inverse agonist. From a structure-affinity relationship point of view some insight in the role played by N-4 and Id-oxide is gained. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80013-5
• 作为产物：
  描述：

  7-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide 在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 以85%的产率得到7-chloropyrazolo[5,1-c][1,2,4]benzotriazine
  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.
• Benzodiazepine receptor ligands — Part II. Synthesis and biological evaluation of pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxide
  作者：Annarella Costanzo、Gabriella Guerrini、Fabrizio Bruni、Giovanna Ciciani、Silvia Selleri、Silvia Cappelletti、Barbara Costa、Claudia Martini、Antonio Lucacchini

  DOI：10.1016/s0223-5234(98)80013-5

  日期：1998.3

  A new series of 3-, 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxides 3 were synthesized and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison with their 5-oxide isomers 2. The 4-oxide compounds 3c,m,n,o showed a better receptor affinity than their corresponding 5-oxide isomers, with an efficacy trend of antagonist/partial inverse agonist. From a structure-affinity relationship point of view some insight in the role played by N-4 and Id-oxide is gained. (C) Elsevier, Paris.