5-Vinyl-nicotinsaeure-ethylester | 68686-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-Vinyl-nicotinsaeure-ethylester
• 英文别名: 5-vinyl-nicotinic acid ethyl ester；Ethyl 5-ethenylpyridine-3-carboxylate；ethyl 5-ethenylpyridine-3-carboxylate
• CAS: 68686-60-2
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: SXDREQJASYVWOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Vinyl-nicotinsaeure-ethylester 在 tris-(dibenzylideneacetone)dipalladium(0) 、 乙醇 、 TEA 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-Methyl-5-((E)-2-o-tolyl-vinyl)-nicotinamide
  参考文献：
  名称：

  Aza-stilbenes as potent and selective c-RAF inhibitors

  摘要：

  The synthesis of several novel aza-stilbene derivatives was carried out. The compounds were tested for their c-RAF enzyme inhibition. Compound 27 possesses significant potency against c-RAF and demonstrates selectivity over other protein kinases. A hypothesis for the binding mode, activity, and selectivity is proposed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.063
• 作为产物：
  描述：

  5-溴烟酸乙酯 、 三丁基乙烯基锡 在 bis-triphenylphosphine-palladium(II) chloride 、 2,6-二叔丁基-4-甲基苯酚 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-Vinyl-nicotinsaeure-ethylester
  参考文献：
  名称：

  Aza-stilbenes as potent and selective c-RAF inhibitors

  摘要：

  The synthesis of several novel aza-stilbene derivatives was carried out. The compounds were tested for their c-RAF enzyme inhibition. Compound 27 possesses significant potency against c-RAF and demonstrates selectivity over other protein kinases. A hypothesis for the binding mode, activity, and selectivity is proposed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.063

文献信息

• Aza-stilbenes as potent and selective c-RAF inhibitors
  作者：Octerloney McDonald、Karen Lackey、Ronda Davis-Ward、Edgar Wood、Vicente Samano、Patrick Maloney、Felix Deanda、Robert Hunter

  DOI：10.1016/j.bmcl.2006.07.063

  日期：2006.10

  The synthesis of several novel aza-stilbene derivatives was carried out. The compounds were tested for their c-RAF enzyme inhibition. Compound 27 possesses significant potency against c-RAF and demonstrates selectivity over other protein kinases. A hypothesis for the binding mode, activity, and selectivity is proposed. (c) 2006 Elsevier Ltd. All rights reserved.