N2-phenethyl-6-(piperazin-1-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine | 1197341-64-2

• 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: N2-phenethyl-6-(piperazin-1-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine
• 英文别名: 4-N-(2-phenylethyl)-6-piperazin-1-yl-2-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine
• CAS: 1197341-64-2
• 化学式: C₂₀H₂₄N₈
• 分子量: 376.464
• InChiKey: AWMGQCCTIZRQSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  生成 N2-phenethyl-6-(piperazin-1-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Triazine and pyrimidine based ROCK inhibitors with efficacy in spontaneous hypertensive rat model

  摘要：

  The pro. le of a series of triazine and pyrimidine based ROCK inhibitors is described. An initial binding mode was established based on a homology model and the proposed interactions are consistent with the observed SAR. Compounds from the series are potent in a cell migration assay and possess a favorable kinase selectivity. In vivo activity was demonstrated for compound 1A in a spontaneous hypertensive rat model. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.09.046