2-amino-4-(N,N-dimethylaminopropylamino)-7-phenylpyrazolo[1,5-a][1,3,5]triazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-amino-4-(N,N-dimethylaminopropylamino)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
• 英文别名: 4-N-[3-(dimethylamino)propyl]-7-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
• 化学式: C₁₆H₂₁N₇
• 分子量: 311.39
• InChiKey: WICDHIIRVNIUEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-amino-7-phenyl-4-trichloromethylpyrazolo[1,5-a][1,3,5]triazine 、 N,N-二甲基-1,3-二氨基丙烷 以 甲醇 为溶剂， 反应 24.0h， 以82%的产率得到2-amino-4-(N,N-dimethylaminopropylamino)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
  参考文献：
  名称：

  4-Amino-substituted pyrazolo[1,5-a][1,3,5]triazin-2-amines: a new practical synthesis and biological activity

  摘要：

  The trichloromethyl moiety was successfully employed as a leaving group in nucleophilic substitutions with various amines for the synthesis of 4-amino-substituted pyrazolo[1,5-a][1,3,5]triazin-2-amines. The key precursor for this reaction, 4-trichloromethylpyrazolo[1,5-a][1,3,5]triazin-2-amine, was prepared via the solvent-dependent condensation of 5-guanidino-3-phenylpyrazole with trichloroacetonitrile. In a broad biological activity screening, some of the prepared compounds were identified as CGRP receptor antagonists. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.10.057

文献信息

• 4-Amino-substituted pyrazolo[1,5-a][1,3,5]triazin-2-amines: a new practical synthesis and biological activity
  作者：Felicia Phei Lin Lim、Anton V. Dolzhenko

  DOI：10.1016/j.tetlet.2014.10.057

  日期：2014.12

  The trichloromethyl moiety was successfully employed as a leaving group in nucleophilic substitutions with various amines for the synthesis of 4-amino-substituted pyrazolo[1,5-a][1,3,5]triazin-2-amines. The key precursor for this reaction, 4-trichloromethylpyrazolo[1,5-a][1,3,5]triazin-2-amine, was prepared via the solvent-dependent condensation of 5-guanidino-3-phenylpyrazole with trichloroacetonitrile. In a broad biological activity screening, some of the prepared compounds were identified as CGRP receptor antagonists. (C) 2014 Elsevier Ltd. All rights reserved.