5-Amino-6-(3-fluoro-phenylamino)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one | 141300-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5-Amino-6-(3-fluoro-phenylamino)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
• 英文别名: 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((3-fluorophenyl)amino)-；5-amino-6-(3-fluoroanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-one
• CAS: 141300-24-5
• 化学式: C₁₁H₉FN₆O
• 分子量: 260.23
• InChiKey: IKZSSKIZGGHSLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Amino-6-(3-fluoro-phenylamino)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one 、 原甲酸三乙酯 在 对甲苯磺酸 作用下， 反应 18.0h， 以70%的产率得到8-(3-Fluoro-phenyl)-1,8-dihydro-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
• 作为产物：
  描述：

  异硫氰酸(3-氟苯)酯 在 一水合肼 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 14.0h， 生成 5-Amino-6-(3-fluoro-phenylamino)-1,5-dihydro-pyrazolo[3,4-d]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