8-(4-bromophenyl)-1H,4H,8H-pyrazolo<3,4-d><1,2,4>triazolo<1,5-a>pyrimidin-4-one | 141300-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 8-(4-bromophenyl)-1H,4H,8H-pyrazolo<3,4-d><1,2,4>triazolo<1,5-a>pyrimidin-4-one
• 英文别名: 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-bromophenyl)-；10-(4-bromophenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
• CAS: 141300-30-3
• 化学式: C₁₂H₇BrN₆O
• 分子量: 331.131
• InChiKey: XXSQSZVISHBWJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 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：
  77
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(4-bromophenyl)-1H,4H,8H-pyrazolo<3,4-d><1,2,4>triazolo<1,5-a>pyrimidin-4-one 、 原甲酸三乙酯 在 对甲苯磺酸 作用下， 反应 14.0h， 以45%的产率得到2-ethyl 8-(4-bromophenyl)-2H,4H,8H-pyrazolo<3,4-d><1,2,4>triazolo<1,5-a>pyrimidin-4-one
  参考文献：
  名称：

  Guccione, Salvatore; Raffaelli, Andrea; Barretta, Gloria Uccello, Journal of Heterocyclic Chemistry, 1995, vol. 32, # 4, p. 1149 - 1158

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴苯基异硫氰酸酯 在 对甲苯磺酸 、 一水合肼 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 32.0h， 生成 8-(4-bromophenyl)-1H,4H,8H-pyrazolo<3,4-d><1,2,4>triazolo<1,5-a>pyrimidin-4-one
  参考文献：
  名称：

  Synthesis and pharmacological properties of pyrazolotriazolopyrimidine derivatives

  摘要：

  As a part of research on anti-inflammatory-analgesic compounds, pyrazolotriazolopyrimidines were prepared by cycling the corresponding 2-phenylamino-3-aminopyrazolo[3,4-d]pyrimidin-4-one derivatives 3a-h with triethylorthoformate, in the presence of p-toluenesulfonic acid. The results of the pharmacological screening indicate that some of the derivatives which were tested, especially 3c and 6e, showed a good anti-inflammatory activity associated with non-narcotic analgesic properties and a remarkable systemic and gastric tolerance.

  DOI：

  10.1016/0223-5234(92)90064-8

文献信息

• Guccione, Salvatore; Raffaelli, Andrea; Barretta, Gloria Uccello, Journal of Heterocyclic Chemistry, 1995, vol. 32, # 4, p. 1149 - 1158
  作者：Guccione, Salvatore、Raffaelli, Andrea、Barretta, Gloria Uccello、Scolaro, Luigi Monsu、Pucci, Sergio、Russo, Filippo

  DOI：——

  日期：——
• Synthesis and pharmacological properties of pyrazolotriazolopyrimidine derivatives
  作者：F Russo、S Guccione、G Romeo、L Monsu'Scolaro、S Pucci、A Caruso、V Cutuli、M Amico Roxas

  DOI：10.1016/0223-5234(92)90064-8

  日期：1992.1

  As a part of research on anti-inflammatory-analgesic compounds, pyrazolotriazolopyrimidines were prepared by cycling the corresponding 2-phenylamino-3-aminopyrazolo[3,4-d]pyrimidin-4-one derivatives 3a-h with triethylorthoformate, in the presence of p-toluenesulfonic acid. The results of the pharmacological screening indicate that some of the derivatives which were tested, especially 3c and 6e, showed a good anti-inflammatory activity associated with non-narcotic analgesic properties and a remarkable systemic and gastric tolerance.