1,1'-(propane-1,3-diyl)diquinolinium bromide

• 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: 1,1'-(propane-1,3-diyl)diquinolinium bromide
• 英文别名: 1,1'-prop-1,3-diyl-bis(quinolinium) dibromide；1,1'-propanediyl-bis-quinolinium; dibromide；1,1'-Propandiyl-bis-chinolinium; Dibromid；1-(3-Quinolin-1-ium-1-ylpropyl)quinolin-1-ium;bromide
• 化学式: 2Br*C₂₁H₂₀N₂
• 分子量: 460.211
• InChiKey: QKLYCMUWDQDMDD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  7.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  喹啉 、 1,3-二溴丙烷 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以66%的产率得到1,1'-(propane-1,3-diyl)diquinolinium bromide
  参考文献：
  名称：

  Corrosion Inhibition

  摘要：

  在酸性溶液中，使用一种混合物来抑制钢铁的腐蚀，这种混合物包括多个杂环芳香基团与季铵氮原子连接在一起的化合物，例如通过可能共价连接到芳香杂环环的季铵氮原子的连接基团，以及一种极化吸附增强阴离子。

  公开号：

  US20180135187A1

文献信息

• Corrosion Inhibition
  申请人：Schlumberger Technology Corporation

  公开号：US20180135187A1

  公开（公告）日：2018-05-17

  Corrosion of steel in acidic solution is inhibited using a mixture of a compound in which a plurality of heterocyclic aromatic groups with a quaternary nitrogen atom are connected together, such as by a linking group which may be covalently attached to the quaternary nitrogen atoms of the aromatic heterocyclic rings, and a polarizable adsorption-intensifying anion.

  在酸性溶液中，使用一种混合物来抑制钢铁的腐蚀，这种混合物包括多个杂环芳香基团与季铵氮原子连接在一起的化合物，例如通过可能共价连接到芳香杂环环的季铵氮原子的连接基团，以及一种极化吸附增强阴离子。
• 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.