N-methyl-3,5-difluoro-4-methoxypyridinuim trifluoromethanesulfonate | 1469911-80-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N-methyl-3,5-difluoro-4-methoxypyridinuim trifluoromethanesulfonate
• 英文别名: 3,5-Difluoro-4-methoxy-1-methylpyridin-1-ium;trifluoromethanesulfonate；3,5-difluoro-4-methoxy-1-methylpyridin-1-ium;trifluoromethanesulfonate
• CAS: 1469911-80-5
• 化学式: CF₃O₃S*C₇H₈F₂NO
• 分子量: 309.214
• InChiKey: JFDUQVSBGRJINQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,5-二氟-4-甲氧基吡啶 、 三氟甲烷磺酸甲酯 以 甲苯 为溶剂， 反应 2.0h， 以37%的产率得到N-methyl-3,5-difluoro-4-methoxypyridinuim trifluoromethanesulfonate
  参考文献：
  名称：

  Reversible inhibition of human acetylcholinesterase by methoxypyridinium species

  摘要：

  The irreversible inhibition of acetylcholinesterase (AChE) by organophosphorous chemical warfare agents necessitates that antidotes be administered for effective treatment. Currently no antidote is known that resurrects the phosphyl-AChE complex once aging has occurred. This report characterizes the affinities of over 30 new AChE inhibitors which could act as resurrecting agents for the aged AChE-OP adduct. (c) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.09.008

文献信息

• Reversible inhibition of human acetylcholinesterase by methoxypyridinium species
  作者：Joseph J. Topczewski、Alexander M. Lodge、Sumana N. Yasapala、Maurice K. Payne、Pedrom M. Keshavarzi、Daniel M. Quinn

  DOI：10.1016/j.bmcl.2013.09.008

  日期：2013.11

  The irreversible inhibition of acetylcholinesterase (AChE) by organophosphorous chemical warfare agents necessitates that antidotes be administered for effective treatment. Currently no antidote is known that resurrects the phosphyl-AChE complex once aging has occurred. This report characterizes the affinities of over 30 new AChE inhibitors which could act as resurrecting agents for the aged AChE-OP adduct. (c) 2013 Published by Elsevier Ltd.