S-quinolin-2-ylmethyl-O,O'-diethyl phosphorothioate | 1186128-67-5

• 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: S-quinolin-2-ylmethyl-O,O'-diethyl phosphorothioate
• 英文别名: 2-(Diethoxyphosphorylsulfanylmethyl)quinoline
• CAS: 1186128-67-5
• 化学式: C₁₄H₁₈NO₃PS
• 分子量: 311.342
• InChiKey: WSKJULADDGQUJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  O,O-二乙基 、 alkaline earth salt of/the/ methylsulfuric acid 以 乙腈 为溶剂， 反应 18.0h， 以53%的产率得到S-quinolin-2-ylmethyl-O,O'-diethyl phosphorothioate
  参考文献：
  名称：

  Synthesis of novel phosphorothioates and phosphorodithioates and their differential inhibition of cholinesterases

  摘要：

  The anticholinesterase activities of newly synthesized phosphorothioates and phosphorodithioates were investigated. The compounds were evaluated for their acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition potency through IC50 determination. The selectivities of the synthesized compounds toward both enzymes were determined and compared in terms of their molecular structures. (C) 2009 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2009.05.002