5-(5-Bromopyridin-3-yl)pyrimidine | 1314355-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(5-Bromopyridin-3-yl)pyrimidine
• CAS: 1314355-76-4
• 化学式: C₉H₆BrN₃
• 分子量: 236.071
• InChiKey: FUWJJFBXYALDGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(5-Bromopyridin-3-yl)pyrimidine 、 生成 4-morpholin-4-yl-N-[5-(5-pyrimidin-5-ylpyridin-3-yl)-1,3-thiazol-2-yl]pyridin-2-amine
  参考文献：
  名称：

  Pyridyl aminothiazoles as potent Chk1 inhibitors: Optimization of cellular activity

  摘要：

  Translation of significant biochemical activity of pyridyl aminothiazole class of Chk1 inhibitors into functional CEA potency required analysis and adjustment of both physical properties and kinase selectivity profile of the series. The steps toward optimization of cellular potency included elimination of CDK7 activity, reduction of molecular weight and polar surface area and increase in lipophilicity of the molecules in the series. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.120