3-methyl-4-phenylquinoline-2-N-methyl-(4-iodobenzyl)carboxamide | 1217189-37-1

• 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: 3-methyl-4-phenylquinoline-2-N-methyl-(4-iodobenzyl)carboxamide
• 英文别名: 3-Methyl-4-phenylquinoline-2-N-methyl-N-(4-iodobenzyl)carboxamide；N-[(4-iodophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide
• CAS: 1217189-37-1
• 化学式: C₂₅H₂₁IN₂O
• 分子量: 492.359
• InChiKey: FYDSYDCURCFGEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-methyl-4-phenylquinoline-2-N-(4-iodobenzyl)carboxamide 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以90%的产率得到3-methyl-4-phenylquinoline-2-N-methyl-(4-iodobenzyl)carboxamide
  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