N-benzyl-2-(3-chloro-4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-benzyl-2-(3-chloro-4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
• 化学式: C₂₁H₁₇ClFN₃
• 分子量: 365.837
• InChiKey: AIZRNNZAMGSEFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-5-甲基吡啶 、 3-氯-4-氟苯甲醛 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 0.25h， 生成 N-benzyl-2-(3-chloro-4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
  参考文献：
  名称：

  Nonacidic Farnesoid X Receptor Modulators

  摘要：

  As a cellular bile acid sensor, farnesoid X receptor (FXR) participates in regulation of bile acid, lipid and glucose homeostasis, and liver protection. Clinical results have validated FXR as therapeutic target in hepatic and metabolic diseases. To date, potent FXR agonists share a negatively ionizable function that might compromise their pharmacokinetic distribution and behavior. Here we report the development and characterization of a high-affinity FXR modulator not comprising an acidic residue.

  DOI：

  10.1021/acs.jmedchem.7b00903

文献信息

• Nonacidic Farnesoid X Receptor Modulators
  作者：Daniel Flesch、Sun-Yee Cheung、Jurema Schmidt、Matthias Gabler、Pascal Heitel、Jan Kramer、Astrid Kaiser、Markus Hartmann、Mara Lindner、Kerstin Lüddens-Dämgen、Jan Heering、Christina Lamers、Hartmut Lüddens、Mario Wurglics、Ewgenij Proschak、Manfred Schubert-Zsilavecz、Daniel Merk

  DOI：10.1021/acs.jmedchem.7b00903

  日期：2017.8.24

  As a cellular bile acid sensor, farnesoid X receptor (FXR) participates in regulation of bile acid, lipid and glucose homeostasis, and liver protection. Clinical results have validated FXR as therapeutic target in hepatic and metabolic diseases. To date, potent FXR agonists share a negatively ionizable function that might compromise their pharmacokinetic distribution and behavior. Here we report the development and characterization of a high-affinity FXR modulator not comprising an acidic residue.