3-(diphenylphosphorothioyl)-2-methyl-1-(3-phenylpropyl)-imidazo[1,2-a]pyridin-1-ium trifluoroacetate | 1345964-92-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 3-(diphenylphosphorothioyl)-2-methyl-1-(3-phenylpropyl)-imidazo[1,2-a]pyridin-1-ium trifluoroacetate
• 英文别名: [2-Methyl-1-(3-phenylpropyl)imidazo[1,2-a]pyridin-4-ium-3-yl]-diphenyl-sulfanylidene-lambda5-phosphane;2,2,2-trifluoroacetate；[2-methyl-1-(3-phenylpropyl)imidazo[1,2-a]pyridin-4-ium-3-yl]-diphenyl-sulfanylidene-λ5-phosphane;2,2,2-trifluoroacetate
• CAS: 1345964-92-2
• 化学式: C₂F₃O₂*C₂₉H₂₈N₂PS
• 分子量: 580.61
• InChiKey: WJQLLUGJFPVODI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-甲基咪唑并[1,2-a]吡啶 在 吡啶 、 sulfur 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 18.0h， 生成 3-(diphenylphosphorothioyl)-2-methyl-1-(3-phenylpropyl)-imidazo[1,2-a]pyridin-1-ium trifluoroacetate
  参考文献：
  名称：

  Structure–Activity Relationship of Imidazopyridinium Analogues as Antagonists of Neuropeptide S Receptor

  摘要：

  The discovery and characterization of a novel chemical series of phosphorothioyl-containing imidazopyridines as potent neuropeptide S receptor antagonists is presented. The synthesis of analogues and their structure-activity relationship with respect to the Gq, Gs, and ERK pathways is detailed. The pharmacokinetics and in vivo efficacy of a potent analogue in a food intake rodent model are also included, underscoring its potential therapeutic value for the treatment of sleep, anxiety, and addiction disorders.

  DOI：

  10.1021/jm400904m