5-iodo-8-(4-methylpiperazin-1-yl)quinoline | 1608477-81-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-iodo-8-(4-methylpiperazin-1-yl)quinoline
• CAS: 1608477-81-1
• 化学式: C₁₄H₁₆IN₃
• 分子量: 353.206
• InChiKey: ICIRAKDCGCHUHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  19.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-iodo-8-(4-methylpiperazin-1-yl)quinoline 在 Oxone 、 copper(l) iodide 、 caesium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-[(4-fluorophenyl)sulfonyl]-8-(4-methylpiperazin-1-yl)quinoline
  参考文献：
  名称：

  Syntheses, Radiolabelings, and in Vitro Evaluations of Fluorinated PET Radioligands of 5-HT₆ Serotoninergic Receptors

  摘要：

  The 5-HT6 receptors are potent therapeutic targets for psychiatric and neurological diseases (schizophrenia, Alzheimer's disease, etc.). However, with lack of specific radiopharmaceuticals, their pharmacology is still incomplete and their exploration is limited to animal models. In this context, we have designed a fluorinated PET radiotracer, [F-18]2FNQ1P, that possesses a high affinity and selectivity for 5-HT6. In vitro PET autoradiographies in rat brain sections with this radiotracer were in accordance with the 5-HT6 distribution pattern.

  DOI：

  10.1021/jm500372e
• 作为产物：
  描述：

  8-(4-methylpiperazin-1-yl)quinoline 在 N-碘代丁二酰亚胺 、 溶剂黄146 、 sodium sulfite 作用下， 反应 1.0h， 以73%的产率得到5-iodo-8-(4-methylpiperazin-1-yl)quinoline
  参考文献：
  名称：

  Syntheses, Radiolabelings, and in Vitro Evaluations of Fluorinated PET Radioligands of 5-HT₆ Serotoninergic Receptors

  摘要：

  The 5-HT6 receptors are potent therapeutic targets for psychiatric and neurological diseases (schizophrenia, Alzheimer's disease, etc.). However, with lack of specific radiopharmaceuticals, their pharmacology is still incomplete and their exploration is limited to animal models. In this context, we have designed a fluorinated PET radiotracer, [F-18]2FNQ1P, that possesses a high affinity and selectivity for 5-HT6. In vitro PET autoradiographies in rat brain sections with this radiotracer were in accordance with the 5-HT6 distribution pattern.

  DOI：

  10.1021/jm500372e