2-cyano-4-(2-methylquinolin-7-yl)phenyl triflate | 1227700-90-4

• 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: 2-cyano-4-(2-methylquinolin-7-yl)phenyl triflate
• CAS: 1227700-90-4
• 化学式: C₁₈H₁₁F₃N₂O₃S
• 分子量: 392.358
• InChiKey: FAXJHFHWTRXXKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.05
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  三氟甲磺酸酐 、 2-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以30%的产率得到2-cyano-4-(2-methylquinolin-7-yl)phenyl triflate
  参考文献：
  名称：

  Structure–activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5

  摘要：

  The metabotropic glutamate receptor subtype 5 (mGluR5) has been implicated in numerous neuropsychiatric disorders including addiction. We have discovered that the rigid diaryl alkyne template, derived from the potent and selective noncompetitive mGluR5 antagonist 2-methyl-6-(phenylethynyl) pyridine (MPEP), can serve to guide the design of novel quinoline analogues and pharmacophore optimization has resulted in potent mGluR5 noncompetitive antagonists (EC(50) range 60-100 nM) in the quinoline series. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.03.053