[3-(4-isopropyl-piperazin-1-ylmethyl)-1H-indol-6-yl]-piperidin-1-yl-methanone | 1056000-20-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: [3-(4-isopropyl-piperazin-1-ylmethyl)-1H-indol-6-yl]-piperidin-1-yl-methanone
• 英文别名: (3-((4-isopropylpiperazin-1-yl)methyl)-1H-indol-6-yl)(piperidin-1-yl)methanone；piperidin-1-yl-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]-1H-indol-6-yl]methanone
• CAS: 1056000-20-4
• 化学式: C₂₂H₃₂N₄O
• 分子量: 368.522
• InChiKey: NCQXIAVHPHPHPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  42.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-异丙基哌嗪 、 6-(piperidine-1-carbonyl)-1H-indole-3-carbaldehyde 在 三乙酰氧基硼氢化钠 作用下， 生成 [3-(4-isopropyl-piperazin-1-ylmethyl)-1H-indol-6-yl]-piperidin-1-yl-methanone
  参考文献：
  名称：

  Indole- and benzothiophene-based histamine H3 antagonists

  摘要：

  Previous research on histamine H-3 antagonists has led to the development of a pharmacophore model consisting of a central phenyl core flanked by two alkylamine groups. Recent investigation of the replacement of the central phenyl core with heteroaromatic fragments resulted in the preparation of novel 3,5-, 3,6- and 3,7-substituted indole and 3,5-substituted benzothiophene analogs that demonstrate good to excellent hH(3) affinities. Select analogs were profiled in a rat pharmacokinetic model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.103

文献信息

• INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR
  申请人：Allison Brett D.

  公开号：US20110178062A1

  公开（公告）日：2011-07-21

  Certain substituted indole and benzothiophene compounds are histamine H 3 receptor modulators useful in the treatment of histamine H 3 receptor-mediated diseases.

  某些取代的吲哚和苯并噻吩化合物是组胺H3受体调节剂，可用于治疗组胺H3受体介导的疾病。
• [EN] INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR<br/>[FR] COMPOSÉS À BASE D'INDOLE ET DE BENZOTHIOPHÈNE EN TANT QUE MODULATEURS DU RÉCEPTEUR H3 DE L'HISTAMINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2008109333A1

  公开（公告）日：2008-09-12

  [EN] Certain substituted indole and benzothiophene compounds are histamine H₃ receptor modulators useful in the treatment of histamine H₃ receptor-mediated diseases.
  [FR] La présente invention concerne certains composés à base d'indole et de benzothiophène substitués qui sont des modulateurs du récepteur H₃ de l'histamine utiles dans le traitement de maladies médiées par le récepteur H₃ de l'histamine
• Indole- and benzothiophene-based histamine H3 antagonists
  作者：Alejandro Santillan、Kelly J. McClure、Brett D. Allison、Brian Lord、Jamin D. Boggs、Kirsten L. Morton、Anita M. Everson、Diane Nepomuceno、Michael A. Letavic、Alice Lee-Dutra、Timothy W. Lovenberg、Nicholas I. Carruthers、Cheryl A. Grice

  DOI：10.1016/j.bmcl.2010.08.103

  日期：2010.11

  Previous research on histamine H-3 antagonists has led to the development of a pharmacophore model consisting of a central phenyl core flanked by two alkylamine groups. Recent investigation of the replacement of the central phenyl core with heteroaromatic fragments resulted in the preparation of novel 3,5-, 3,6- and 3,7-substituted indole and 3,5-substituted benzothiophene analogs that demonstrate good to excellent hH(3) affinities. Select analogs were profiled in a rat pharmacokinetic model. (C) 2010 Elsevier Ltd. All rights reserved.