(1-Cyclopentyl-piperidin-4-yl)-(3'-trifluoromethyl-biphenyl-4-yl)-amine | 862652-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1-Cyclopentyl-piperidin-4-yl)-(3'-trifluoromethyl-biphenyl-4-yl)-amine
• CAS: 862652-61-7
• 化学式: C₂₃H₂₇F₃N₂
• 分子量: 388.476
• InChiKey: LPWJITACVDPHAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  15.27
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (1-Cyclopentyl-piperidin-4-yl)-(3'-trifluoromethyl-biphenyl-4-yl)-amine 、 3,5-二氯苯异氰酸酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(1-Cyclopentylpiperidin-4-yl)-3-(3,5-dichlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]urea
  参考文献：
  名称：

  Biaryl Ureas as Potent and Orally Efficacious Melanin Concentrating Hormone Receptor 1 Antagonists for the Treatment of Obesity

  摘要：

  Herein, we report a small molecule MCH-R1 antagonist which demonstrates oral efficacy in chronic rodent models. Substituted phenyl biaryl urea derivatives were synthesized and evaluated as MCH-R1 antagonists for the treatment of obesity. The structure-activity relationship studies in this series resulted in identification of urea 1 as a potent and selective MCH-R1 antagonist. Compound I exhibited oral efficacy in chronic (28 d) rodent models at 3-30 mpk showing significant reduction in food intake and weight gain relative to controls.

  DOI：

  10.1021/jm0503852
• 作为产物：
  描述：

  4-溴苯胺 在 titanium(IV) isopropylate 、 Pd catalyst 、 三乙酰氧基硼氢化钠 、 sodium carbonate 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 55.33h， 生成 (1-Cyclopentyl-piperidin-4-yl)-(3'-trifluoromethyl-biphenyl-4-yl)-amine
  参考文献：
  名称：

  Biaryl Ureas as Potent and Orally Efficacious Melanin Concentrating Hormone Receptor 1 Antagonists for the Treatment of Obesity

  摘要：

  Herein, we report a small molecule MCH-R1 antagonist which demonstrates oral efficacy in chronic rodent models. Substituted phenyl biaryl urea derivatives were synthesized and evaluated as MCH-R1 antagonists for the treatment of obesity. The structure-activity relationship studies in this series resulted in identification of urea 1 as a potent and selective MCH-R1 antagonist. Compound I exhibited oral efficacy in chronic (28 d) rodent models at 3-30 mpk showing significant reduction in food intake and weight gain relative to controls.

  DOI：

  10.1021/jm0503852