4-phenyl-3-bromomethylquinoline-2-N-methyl-N-sec-butylcarboxamide | 1217189-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-phenyl-3-bromomethylquinoline-2-N-methyl-N-sec-butylcarboxamide
• 英文别名: 3-(bromomethyl)-N-butan-2-yl-N-methyl-4-phenylquinoline-2-carboxamide
• CAS: 1217189-48-4
• 化学式: C₂₂H₂₃BrN₂O
• 分子量: 411.341
• InChiKey: TVJBKLGPYWKNAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-phenyl-3-bromomethylquinoline-2-N-methyl-N-sec-butylcarboxamide 在 18-冠醚-6 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以76%的产率得到4-phenyl-3-iodomethylquinoline-2-N-methyl-N-sec-butylcarboxamide
  参考文献：
  名称：

  New iodinated quinoline-2-carboxamides for SPECT imaging of the translocator protein

  摘要：

  With the aim of developing new SPECT imaging agents for the translocator protein (TSPO), a small library of iodinated quinoline-2-carboxamides have been prepared and tested for binding affinity with TSPO. N,N-Diethyl-3-iodomethyl-4-phenylquinoline-2-carboxamide was found to have excellent affinity (K-i 12.0 nM), comparable to that of the widely used TSPO imaging agent PK11195. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.061
• 作为产物：
  描述：

  4-phenyl-3-methylquinoline-2-N-methyl-N-sec-butylcarboxamide 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 96.0h， 以45%的产率得到4-phenyl-3-bromomethylquinoline-2-N-methyl-N-sec-butylcarboxamide
  参考文献：
  名称：

  New iodinated quinoline-2-carboxamides for SPECT imaging of the translocator protein

  摘要：

  With the aim of developing new SPECT imaging agents for the translocator protein (TSPO), a small library of iodinated quinoline-2-carboxamides have been prepared and tested for binding affinity with TSPO. N,N-Diethyl-3-iodomethyl-4-phenylquinoline-2-carboxamide was found to have excellent affinity (K-i 12.0 nM), comparable to that of the widely used TSPO imaging agent PK11195. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.061

文献信息

• TSPO Binders
  申请人：The University Court of the University of Glasgow

  公开号：US20210107877A1

  公开（公告）日：2021-04-15

  The invention provides a compound of formula (I), and salts, solvates and radiolabelled forms thereof, together with complexes of the compound of formula (I) with TSPO, and methods for forming such complexes, and methods for detecting the compound of formula (I), such as in complex with TSPO.
• [EN] TSPO BINDERS<br/>[FR] AGENTS DE LIAISON À TSPO
  申请人：UNIV GLASGOW COURT

  公开号：WO2019243616A1

  公开（公告）日：2019-12-26

  The invention provides a compound of formula (I), and salts, solvates and radiolabelled forms thereof, together with complexes of the compound of formula (I) with TSPO, and methods for forming such complexes, and methods for detecting the compound of formula (I), such as in complex with TSPO.