6,7-dimethoxy-2-(6-(6-methoxypyridin-2-yl)hexyl)-1,2,3,4-tetrahydroisoquinoline | 1469911-39-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 6,7-dimethoxy-2-(6-(6-methoxypyridin-2-yl)hexyl)-1,2,3,4-tetrahydroisoquinoline
• CAS: 1469911-39-4
• 化学式: C₂₃H₃₂N₂O₃
• 分子量: 384.519
• InChiKey: RLKOONNDUCIJOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.27
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  43.82
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6,7-dimethoxy-2-(6-(6-methoxypyridin-2-yl)hexyl)-1,2,3,4-tetrahydroisoquinoline 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 反应 18.0h， 以92%的产率得到
  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
• 作为产物：
  描述：

  2-甲氧基-6-甲基吡啶 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 乙腈 为溶剂， 反应 50.17h， 生成 6,7-dimethoxy-2-(6-(6-methoxypyridin-2-yl)hexyl)-1,2,3,4-tetrahydroisoquinoline
  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