5-氨基-6-(4-甲氧基苯胺基)-1H-吡唑并[3,4-d]嘧啶-4-酮 | 141300-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 5-氨基-6-(4-甲氧基苯胺基)-1H-吡唑并[3,4-d]嘧啶-4-酮
• 英文名称: 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methoxyphenyl)amino)-
• 英文别名: 5-amino-6-(4-methoxyanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-one
• CAS: 141300-19-8
• 化学式: C₁₂H₁₂N₆O₂
• 分子量: 272.266
• InChiKey: OLRLRSXQYWSOJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-氨基-6-(4-甲氧基苯胺基)-1H-吡唑并[3,4-d]嘧啶-4-酮 在 劳森试剂 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 36.0h， 生成 1H-pyrazolo<3,4-d><1,2,4>8H-triazolo<2,3-a>4H-pyrimidin-4-thione
  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
• 作为产物：
  描述：

  4-甲氧基苯基 异硫氰酸酯 在 一水合肼 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 14.0h， 生成 5-氨基-6-(4-甲氧基苯胺基)-1H-吡唑并[3,4-d]嘧啶-4-酮
  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

• 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.