N,N-diallyl-6-bromopyridin-3-amine | 1220889-30-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-diallyl-6-bromopyridin-3-amine
• CAS: 1220889-30-4
• 化学式: C₁₁H₁₃BrN₂
• 分子量: 253.142
• InChiKey: CLWVXAZERVATMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.02
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  16.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N,N-diallyl-6-bromopyridin-3-amine 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以76%的产率得到C₉H₉BrN₂
  参考文献：
  名称：

  Exploration of a new series of PAR1 antagonists

  摘要：

  Two series of new PAR1 antagonists have been identified. The first incorporates a cinnamoylpiperidine motif and the second a cinnamoylpyridine pattern. The synthesis, biological activity and structure-activity relationship of these compounds are presented. In each series, one analog showed potent in vivo anti-thrombotic activity in a rat AV shunt model, with up to 53% inhibition at 1.25 mpk iv for compound 30. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.050
• 作为产物：
  描述：

  5-氨基-2-溴吡啶 、 3-溴丙烯 在 sodium hydride 作用下， 以 甲苯 为溶剂， 以88%的产率得到N,N-diallyl-6-bromopyridin-3-amine
  参考文献：
  名称：

  Exploration of a new series of PAR1 antagonists

  摘要：

  Two series of new PAR1 antagonists have been identified. The first incorporates a cinnamoylpiperidine motif and the second a cinnamoylpyridine pattern. The synthesis, biological activity and structure-activity relationship of these compounds are presented. In each series, one analog showed potent in vivo anti-thrombotic activity in a rat AV shunt model, with up to 53% inhibition at 1.25 mpk iv for compound 30. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.050