1-[5-(1-quinoliniumyl)pentyl]quinolinium dibromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-[5-(1-quinoliniumyl)pentyl]quinolinium dibromide
• 英文别名: 1,1'-pent-1,5-diyl-bis(quinolinium) dibromide；1,1'-pentanediyl-bis-quinolinium; dibromide；1,1'-Pentandiyl-bis-chinolinium; Dibromid；1-(5-Quinolin-1-ium-1-ylpentyl)quinolin-1-ium;bromide
• 化学式: 2Br*C₂₃H₂₄N₂
• 分子量: 488.265
• InChiKey: YTNSWXXTFPQNNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  7.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 1-[5-(1-quinoliniumyl)pentyl]quinolinium dibromide 以 甲醇 为溶剂， 反应 3.0h， 以99%的产率得到
  参考文献：
  名称：

  JP2015/17039

  摘要：

  公开号：
• 作为产物：
  描述：

  喹啉 、 1,5-二溴戊烷 生成 1-[5-(1-quinoliniumyl)pentyl]quinolinium dibromide
  参考文献：
  名称：

  v. Braun, Chemische Berichte, 1908, vol. 41, p. 2164

  摘要：

  DOI：

文献信息

• v. Braun, Chemische Berichte, 1908, vol. 41, p. 2164
  作者：v. Braun

  DOI：——

  日期：——
• Barlow; Ing, British Journal of Pharmacology and Chemotherapy, 1948, vol. 3, p. 300
  作者：Barlow、Ing

  DOI：——

  日期：——
• Some Quaternary Ammonium Salts of Heterocyclic Bases. III. Bis-Quaternary Ammonium Salts¹
  作者：Jonathan L. Hartwell、Milton A. Pogorelskin

  DOI：10.1021/ja01161a046

  日期：1950.5
• Preparation, in vitro screening and molecular modelling of symmetrical bis-quinolinium cholinesterase inhibitors—implications for early Myasthenia gravis treatment
  作者：Marketa Komloova、Kamil Musilek、Anna Horova、Ondrej Holas、Vlastimil Dohnal、Frank Gunn-Moore、Kamil Kuca

  DOI：10.1016/j.bmcl.2011.02.047

  日期：2011.4

  This paper describes the preparation and in vitro evaluation of 18 newly prepared bis-quinolinium inhibitors on human recombinant acetylcholinesterase (AChE) and human plasmatic butyrylcholinesterase (BChE). Their inhibitory (IC50) and was compared to the chosen standards ambenonium dichloride, edrophonium chloride, BW284c51 and ethopropazine hydrochloride. One novel compound was found to be a promising inhibitor of hAChE (in nM range) and was better than edrophonium chloride or BW284c51, but was worse than ambenonium chloride. This compound also showed selectivity towards hAChE and it was confirmed as a non-competitive inhibitor of hAChE by kinetic analysis. A molecular modelling study further confirmed its binding to the peripheral active site of hAChE via apparent pi-pi or pi-cationic interactions. (C) 2011 Elsevier Ltd. All rights reserved.
• JP2015/17039
  申请人：——

  公开号：——

  公开（公告）日：——