(4-Bromo-phenyl)-(1-cyclopropylmethyl-piperidin-4-yl)-amine | 862652-52-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (4-Bromo-phenyl)-(1-cyclopropylmethyl-piperidin-4-yl)-amine
• 英文别名: N-(4-bromophenyl)-1-(cyclopropylmethyl)piperidin-4-amine
• CAS: 862652-52-6
• 化学式: C₁₅H₂₁BrN₂
• 分子量: 309.249
• InChiKey: HATIFNGZHAZGOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-Bromo-phenyl)-(1-cyclopropylmethyl-piperidin-4-yl)-amine 在 Pd catalyst 、 sodium carbonate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopropylmethyl-piperidin-4-yl)-3-(4-fluoro-3-trifluoromethyl-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：

  1-Boc-4-(4-溴苯氨基)-哌啶 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (4-Bromo-phenyl)-(1-cyclopropylmethyl-piperidin-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