(R)-5-bromo-1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazole | 1287234-93-8

• 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: (R)-5-bromo-1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazole
• CAS: 1287234-93-8
• 化学式: C₁₅H₂₀BrN₃O
• 分子量: 338.247
• InChiKey: ZKYZPEWJNBEREX-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  30.29
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-苄氧基-2(1H)-吡啶酮 、 (R)-5-bromo-1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazole 在 copper(l) iodide 、 8-羟基喹啉 作用下， 以 二甲基亚砜 为溶剂， 生成 (R)-4-(benzyloxy)-1-(1-(2-(2-methoxymethylpyrrolidin-1-yl)ethyl)-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：

  (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine 、 5-溴吲唑 以 二甲基亚砜 为溶剂， 生成 (R)-5-bromo-1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazole
  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