2-(2-Bromophenoxy)-1-(6-chloropyridin-3-yl)ethanone | 1350522-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2-Bromophenoxy)-1-(6-chloropyridin-3-yl)ethanone
• CAS: 1350522-05-2
• 化学式: C₁₃H₉BrClNO₂
• 分子量: 326.577
• InChiKey: GJPGWMDXGZVAKW-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：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基茚 、 2-(2-Bromophenoxy)-1-(6-chloropyridin-3-yl)ethanone 以 二甲基亚砜 为溶剂， 生成 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)pyridin-3-yl]ethanone
  参考文献：
  名称：

  Synthesis and SAR of a novel metabotropic glutamate receptor 4 (mGlu4) antagonist: Unexpected ‘molecular switch’ from a closely related mGlu4 positive allosteric modulator

  摘要：

  Herein we report the discovery and SAR of a novel antagonist of metabotropic glutamate receptor 4 (mGlu(4)). The antagonist was discovered via a molecular switch from a closely related mGlu(4) positive allosteric modulator (PAM). This antagonist (VU0448383) displays an IC50 value of 8.2 +/- 0.4 mu M and inhibits an EC80 glutamate response by 63.1 +/- 6.6%. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.131
• 作为产物：
  描述：

  5-溴乙酰基)-2-氯吡啶 、 2-溴苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-Bromophenoxy)-1-(6-chloropyridin-3-yl)ethanone
  参考文献：
  名称：

  Synthesis and SAR of a novel metabotropic glutamate receptor 4 (mGlu4) antagonist: Unexpected ‘molecular switch’ from a closely related mGlu4 positive allosteric modulator

  摘要：

  Herein we report the discovery and SAR of a novel antagonist of metabotropic glutamate receptor 4 (mGlu(4)). The antagonist was discovered via a molecular switch from a closely related mGlu(4) positive allosteric modulator (PAM). This antagonist (VU0448383) displays an IC50 value of 8.2 +/- 0.4 mu M and inhibits an EC80 glutamate response by 63.1 +/- 6.6%. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.131