2-(2,3-dichlorophenyl)-N-[(2,3-dimethylphenyl)methyl]-1,2,4-triazol-3-amine | 1024003-55-1

• 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-(2,3-dichlorophenyl)-N-[(2,3-dimethylphenyl)methyl]-1,2,4-triazol-3-amine
• CAS: 1024003-55-1
• 化学式: C₁₇H₁₆Cl₂N₄
• 分子量: 347.247
• InChiKey: RATNEBASRULBQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-Bromo-1-(2,3-dichloro-phenyl)-1H-[1,2,4]triazole 、 2,3-二甲基苄胺 生成 2-(2,3-dichlorophenyl)-N-[(2,3-dimethylphenyl)methyl]-1,2,4-triazol-3-amine
  参考文献：
  名称：

  Synthesis and in vitro activity of 1-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine and 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-4H-1,2,4-triazol-3-amine P2X7 antagonists

  摘要：

  A novel series of aminotriazole-based P2X(7) antagonists was synthesized, and their structure-activity relationships (SAR) were investigated for activity at both human and rat P2X7 receptors. Most compounds showed greater potency at the human receptor although several analogs were discovered with potent activity (pIC(50) >= 7.5) at both human and rat P2X7. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.095