4-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
• 化学式: C₁₇H₂₂N₆
• 分子量: 310.402
• InChiKey: FPZFLWDVGXPRQP-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-methylcinnamic acid 在 sodium methylate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 25.5h， 生成 4-[(E)-2-(4-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  (2-Arylethenyl)-1,3,5-triazin-2-amines as a novel histamine H4 receptor ligands

  摘要：

  Within the constantly growing number of histamine H-4 (H4R) receptor ligands there is a large group of azine derivatives. A series of novel compounds in the group of 4-methylpiperazine-1,3,5-triazine-2-amines were designed and obtained. Considered structures were modified at the triazine 6-position by introduction of variously substituted arylethenyl moieties. Their affinities to histamine H-4 receptors were evaluated in radioligand binding assays with use of Sf9 cells, transiently expressing human H4R. Pharmacological studies results allowed to identify 4-[(E)-2-(3-chlorophenyl)etheny1]-6-(4-methylpiperazin-1-y1)-1,3,5-triazin-2-amine (K-i = 253 nM) as the most potent compound in the present series. (C) 2015 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2015.08.014