| 1197341-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 1197341-95-9
• 化学式: C₂HF₃O₂*C₂₁H₂₄N₈
• 分子量: 502.499
• InChiKey: CSRHHWXWJUFVBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  128.19
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  C₂₆H₃₂N₈O₂ 、 三氟乙酸 以 二氯甲烷 为溶剂， 生成
  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