3-(5-bromo-1H-indazol-1-yl)-N,N-dimethylpropan-1-amine | 1287234-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 3-(5-bromo-1H-indazol-1-yl)-N,N-dimethylpropan-1-amine
• CAS: 1287234-89-2
• 化学式: C₁₂H₁₆BrN₃
• 分子量: 282.183
• InChiKey: OGUUGWFKQPGKMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  21.06
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-苄氧基-2(1H)-吡啶酮 、 3-(5-bromo-1H-indazol-1-yl)-N,N-dimethylpropan-1-amine 在 copper(l) iodide 、 8-羟基喹啉 作用下， 以 二甲基亚砜 为溶剂， 生成 4-(benzyloxy)-1-(1-(3-(dimethylamino)propyl)-1H-indazol-5-yl)pyridin-2(1H)-one
  参考文献：
  名称：

  5-(Pyridinon-1-yl)indazoles and 5-(furopyridinon-5-yl)indazoles as MCH-1 antagonists

  摘要：

  A new series of 5-(pyridinon-1-yl)indazoles with MCH-1 antagonist activity were synthesized. Potential cardiovascular risk for these compounds was assessed based upon their interaction with the hERG potassium channel in a mini-patch clamp assay. Selected compounds were studied in a 5-day diet-induced obese mouse model to evaluate their potential use as weight loss agents. Structural modification of the 5-(pyridinon-1-yl) indazoles to give 5-(furopyridinon-5-yl) indazoles provided compounds with enhanced pharmacokinetic properties and improved efficacy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.039
• 作为产物：
  描述：

  5-溴吲唑 、 N,N-二甲基-3-氯丙胺 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 3-(5-bromo-1H-indazol-1-yl)-N,N-dimethylpropan-1-amine
  参考文献：
  名称：

  5-(Pyridinon-1-yl)indazoles and 5-(furopyridinon-5-yl)indazoles as MCH-1 antagonists

  摘要：

  A new series of 5-(pyridinon-1-yl)indazoles with MCH-1 antagonist activity were synthesized. Potential cardiovascular risk for these compounds was assessed based upon their interaction with the hERG potassium channel in a mini-patch clamp assay. Selected compounds were studied in a 5-day diet-induced obese mouse model to evaluate their potential use as weight loss agents. Structural modification of the 5-(pyridinon-1-yl) indazoles to give 5-(furopyridinon-5-yl) indazoles provided compounds with enhanced pharmacokinetic properties and improved efficacy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.039