(E)-3-(2-chlorophenyl)-1-[6-(cyclohexylamino)pyridin-3-yl]prop-2-en-1-one | 1220889-42-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(2-chlorophenyl)-1-[6-(cyclohexylamino)pyridin-3-yl]prop-2-en-1-one
• CAS: 1220889-42-8
• 化学式: C₂₀H₂₁ClN₂O
• 分子量: 340.853
• InChiKey: FZMLZJKHNRBRNT-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (E)-3-(2-chlorophenyl)-1-(6-fluoropyridin-3-yl)prop-2-en-1-one 、 环己胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (E)-3-(2-chlorophenyl)-1-[6-(cyclohexylamino)pyridin-3-yl]prop-2-en-1-one
  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

文献信息

• Exploration of a new series of PAR1 antagonists
  作者：Bruno Planty、Chantal Pujol、Marie Lamothe、Catherine Maraval、Clemens Horn、Bruno Le Grand、Michel Perez

  DOI：10.1016/j.bmcl.2010.01.050

  日期：2010.3

  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.