4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine | 153901-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine
• 英文别名: 2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(methylthio)-；2-(2,2-diethoxyethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 153901-75-8
• 化学式: C₁₂H₁₉N₅O₂S
• 分子量: 297.381
• InChiKey: BLUPJYVJHMRWFF-UHFFFAOYSA-N

物化性质

• 沸点：
  524.6±60.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine 在 potassium permanganate 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 1.0h， 以53%的产率得到4-amino-2-(2',2'-diethoxyethyl)-6-methanesulfonyl-2H-pyrazolo<3,4-d>pyrimidine
  参考文献：
  名称：

  Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity

  摘要：

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.

  DOI：

  10.1016/0223-5234(93)90089-w
• 作为产物：
  描述：

  4,6-双(甲基硫代)-1H-吡唑并[3,4-d]嘧啶 在 氨 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine
  参考文献：
  名称：

  Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity

  摘要：

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.

  DOI：

  10.1016/0223-5234(93)90089-w

文献信息

• Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity
  作者：K Avasthi、N Garg、T Chandra、DS Bhakuni、PP Gupta、RC Srimal

  DOI：10.1016/0223-5234(93)90089-w

  日期：1993.1

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.