1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3-carboxylic acid ethyl ester | 291773-21-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3-carboxylic acid ethyl ester
• 英文别名: ethyl 1-(2-(1H-indol-3-yl)-2-oxoacetyl)piperidine-3-carboxylate；ethyl 1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
• CAS: 291773-21-2
• 化学式: C₁₈H₂₀N₂O₄
• 分子量: 328.368
• InChiKey: KGNWRICPWILABJ-UHFFFAOYSA-N

物化性质

• 沸点：
  514.4±60.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3-carboxylic acid ethyl ester 在 lithium hydroxide 、 三乙胺 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3-carboxylic acid benzyl ester
  参考文献：
  名称：

  N-(Indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the α1 subunit

  摘要：

  A new class of N-(indol-3-ylglyoxylyl)piperidines are high affinity agonists at the benzodiazepine binding site of human GABA-A receptor ion-channels, with modest selectivity for receptors containing the alpha(1) subunit over alpha(2) and alpha(3). All three receptor subtypes discriminate substantially between the two enantiomers of the chiral ligand 10. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00245-6
• 作为产物：
  描述：

  吲哚-3-乙醛酰氯 、 3-哌啶甲酸乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  N-(Indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the α1 subunit

  摘要：

  A new class of N-(indol-3-ylglyoxylyl)piperidines are high affinity agonists at the benzodiazepine binding site of human GABA-A receptor ion-channels, with modest selectivity for receptors containing the alpha(1) subunit over alpha(2) and alpha(3). All three receptor subtypes discriminate substantially between the two enantiomers of the chiral ligand 10. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00245-6

文献信息

• N-(Indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the α1 subunit
  作者：Ian Collins、William B Davey、Michael Rowley、Kathleen Quirk、Frances A Bromidge、Ruth M McKernan、Sally-Anne Thompson、Keith A Wafford

  DOI：10.1016/s0960-894x(00)00245-6

  日期：2000.6

  A new class of N-(indol-3-ylglyoxylyl)piperidines are high affinity agonists at the benzodiazepine binding site of human GABA-A receptor ion-channels, with modest selectivity for receptors containing the alpha(1) subunit over alpha(2) and alpha(3). All three receptor subtypes discriminate substantially between the two enantiomers of the chiral ligand 10. (C) 2000 Elsevier Science Ltd. All rights reserved.