N,N'-[(1,4-phenylene)-bis-(4-butynyl)]-bis-(4-methyl-pyridinium)dibromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-[(1,4-phenylene)-bis-(4-butynyl)]-bis-(4-methyl-pyridinium)dibromide
• 英文别名: 4-Methyl-1-[4-[4-[4-(4-methylpyridin-1-ium-1-yl)but-1-ynyl]phenyl]but-3-ynyl]pyridin-1-ium;bromide
• 化学式: 2Br*C₂₆H₂₆N₂
• 分子量: 526.314
• InChiKey: QQUHXJQXLGUHNM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.77
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 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：

  4-甲基吡啶 、 1,4-bis(4-bromobut-1-yn-1-yl)benzene 以 乙腈 为溶剂， 生成 N,N'-[(1,4-phenylene)-bis-(4-butynyl)]-bis-(4-methyl-pyridinium)dibromide
  参考文献：
  名称：

  BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS

  摘要：

  提供了使用双季铵化合物治疗炎症性疼痛、神经病理性疼痛和伤害性疼痛的方法。

  公开号：

  US20110166177A1

文献信息

• BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS
  申请人：HOLTMAN Joseph R.

  公开号：US20110166177A1

  公开（公告）日：2011-07-07

  Provided are methods for using bis-quaternary ammonium compounds to treat inflammatory pain, neuropathic pain and nociceptive pain.

  提供了使用双季铵化合物治疗炎症性疼痛、神经病理性疼痛和伤害性疼痛的方法。
• WO2007/149163
  申请人：——

  公开号：——

  公开（公告）日：——
• Bis-azaaromatic quaternary ammonium salts as antagonists at nicotinic receptors mediating nicotine-evoked dopamine release: An investigation of binding conformation
  作者：Guangrong Zheng、Zhenfa Zhang、Marharyta Pivavarchyk、Agripina G. Deaciuc、Linda P. Dwoskin、Peter A. Crooks

  DOI：10.1016/j.bmcl.2007.10.052

  日期：2007.12

  A series of conformationally restricted bis-azaaromatic quaternary ammonium salts (3 and 4) have been designed and synthesized in order to investigate the possible binding conformations of N,N'-dodecane-1,12-diyl-bis-3-picolinium dibromide (bPiDDB; 2), a compound which potently inhibits neuronal nicotinic acetylcholine receptors (nAChRs) mediating nicotine-evoked dopamine release. The preliminary structure-activity relationships of these new analogues suggest that bPiDDB binds in an extended conformation at the nAChR binding site, and that flexibility of the linker may be important for its high potency in inhibiting nAChRs mediating nicotine-evoked dopamine release. (c) 2007 Elsevier Ltd. All rights reserved.