8-Chloro-2-(furan-2-yl)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium | 244234-09-1

• 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-Chloro-2-(furan-2-yl)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
• CAS: 244234-09-1
• 化学式: C₁₃H₇ClN₄O₂
• 分子量: 286.677
• InChiKey: NALNSLUUALHKFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-Chloro-2-(furan-2-yl)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium 在 溴 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以45%的产率得到
  参考文献：
  名称：

  Benzodiazepine receptor ligands

  摘要：

  A new series of 2- and/or 3-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides and their 8-chloro derivatives were synthesized, and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison to lead compound 3-ethoxycarbonyl-8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-5-oxide (29) [1,2]. None of the new compounds showed significant affinity for BZR. On the basis of a pharmacophore/receptor model suggested for lead compound 29, some hypotheses to explain the inactivity of new derivatives are discussed. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00044-0
• 作为产物：
  描述：

  2-硝基-5-氯苯基肼 在 盐酸 、 sodium hydroxide 、 水 作用下， 以 乙醇 、 二乙二醇二甲醚 为溶剂， 反应 60.0h， 生成 8-Chloro-2-(furan-2-yl)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
  参考文献：
  名称：

  Benzodiazepine receptor ligands

  摘要：

  A new series of 2- and/or 3-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides and their 8-chloro derivatives were synthesized, and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison to lead compound 3-ethoxycarbonyl-8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-5-oxide (29) [1,2]. None of the new compounds showed significant affinity for BZR. On the basis of a pharmacophore/receptor model suggested for lead compound 29, some hypotheses to explain the inactivity of new derivatives are discussed. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00044-0

文献信息

• Benzodiazepine receptor ligands
  作者：G. Guerrini、A. Costanzo、F. Bruni、G. Ciciani、S. Selleri、P. Gratteri、B. Costa、C. Martini、A. Lucacchini

  DOI：10.1016/s0014-827x(99)00044-0

  日期：1999.6

  A new series of 2- and/or 3-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides and their 8-chloro derivatives were synthesized, and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison to lead compound 3-ethoxycarbonyl-8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-5-oxide (29) [1,2]. None of the new compounds showed significant affinity for BZR. On the basis of a pharmacophore/receptor model suggested for lead compound 29, some hypotheses to explain the inactivity of new derivatives are discussed. (C) 1999 Elsevier Science S.A. All rights reserved.