1-benzyl-3-[2-(N,N-dimethylamino)ethyl]indene

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-benzyl-3-[2-(N,N-dimethylamino)ethyl]indene
• 英文别名: 2-(3-benzyl-3H-inden-1-yl)-N,N-dimethylethanamine；2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine
• 化学式: C₂₀H₂₃N
• 分子量: 277.409
• InChiKey: CKYIFJXFLBXUQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 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：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氯化苄 、 2-氯-N,N-二甲基乙胺 、 茚 在 正丁基锂 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-(1-benzylinden-1-yl)-N,N-dimethylethanamine 、 1-benzyl-3-[2-(N,N-dimethylamino)ethyl]indene 、 2-(3-benzyl-1H-inden-1-yl)-N,N-dimethylethanamine
  参考文献：
  名称：

  Binding of isotryptamines and indenes at h5-HT6 serotonin receptors

  摘要：

  To deter-mine if the indolic nitrogen atom is required for the binding of N-1-benzyltryptamines at h5-HT6 serotonin receptors, several isotryptamines and indene analogs were examined. The affinity of 3-benzyl-N-1-(N,N-dimethylaminoethyl)indole (5, K-i = 32 nM) and 1-benzyl-3-(N,N-dimethylaminoethyl)indene (11, K-i = 3 nM) indicates that the indolic nitrogen atom is not essential for binding. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.070

文献信息

• COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2040755A1

  公开（公告）日：2009-04-01
• [EN] COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY<br/>[FR] COMBINAISON D'UN INHIBITEUR DE LA CHOLINESTÉRASE ET D'UN COMPOSÉ AYANT UNE AFFINITÉ ENVERS LE RÉCEPTEUR 5-HT6
  申请人：ESTEVE LABOR DR

  公开号：WO2007147883A1

  公开（公告）日：2007-12-27

  [EN] The present invention relates to an active substance combination comprising at least one compound with 5-HT6 receptor affinity, and at least one cholinesterase inhibitor, a medicament comprising said active substance combination, and the use of said active substance combination for the manufacture of a medicament.
  [FR] La présente invention concerne une combinaison de substances actives comprenant au moins un composé ayant une affinité pour le récepteur 5-HT6 et au moins un inhibiteur de la cholinestérase. L'invention concerne également un médicament comprenant ladite combinaison de substances actives et l'utilisation de ladite combinaison lors de la fabrication d'un médicament.
• Binding of isotryptamines and indenes at h5-HT6 serotonin receptors
  作者：Renata Kolanos、Uma Siripurapu、Manik Pullagurla、Mohamed Riaz、Vince Setola、Bryan L. Roth、Małgorzata Dukat、Richard A. Glennon

  DOI：10.1016/j.bmcl.2005.02.070

  日期：2005.4

  To deter-mine if the indolic nitrogen atom is required for the binding of N-1-benzyltryptamines at h5-HT6 serotonin receptors, several isotryptamines and indene analogs were examined. The affinity of 3-benzyl-N-1-(N,N-dimethylaminoethyl)indole (5, K-i = 32 nM) and 1-benzyl-3-(N,N-dimethylaminoethyl)indene (11, K-i = 3 nM) indicates that the indolic nitrogen atom is not essential for binding. (c) 2005 Elsevier Ltd. All rights reserved.