ethyl (2E)-3-anilino-2-pentanoylacrylate | 1062139-23-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl (2E)-3-anilino-2-pentanoylacrylate
• CAS: 1062139-23-4
• 化学式: C₁₆H₂₁NO₃
• 分子量: 275.348
• InChiKey: HYDLSGUFTRKHKI-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  、 苯胺 反应 1.0h， 生成 ethyl (2E)-3-anilino-2-pentanoylacrylate 、 ethyl (2Z)-3-anilino-2-pentanoylacrylate
  参考文献：
  名称：

  Affinity of 3-acyl substituted 4-quinolones at the benzodiazepine site of GABAA receptors

  摘要：

  The finding that alkyl 1,4-dihydro-4-oxoquinoline-3-carboxylate and N-alkyl-1,4-dihydro-4-oxoquinoline3-carboxamide derivatives may be high-affinity ligands at the benzodiazepine binding site of the GABA(A) receptor, prompted a study of 3-acyl-1,4-dihydro-4-oxoquinoline (3-acyl-4-quinolones). In general, the affinity of the 3-acyl derivatives was found to be comparable with the 3-carboxylate and the 3-carboxamide derivatives, and certain substituents ( e. g., benzyl) in position 6 were again shown to be important. As it is believed that the benzodiazepine binding site is situated between an alpha-and a gamma-subunit in the GABA(A) receptor, selected compounds were tested on the alpha(1)beta(2)gamma(2s), alpha(2)beta(2)gamma(2s) and alpha(3)beta(2)gamma(2s) GABAA receptor subtypes. The 3-acyl-4-quinolones display various degrees of selectivity for alpha(1)-versus alpha(2)- and alpha(3)- containing receptors, and high-affinity ligands essentially selective for alpha(1) over alpha(3) were developed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.05.049