N-benzyl-N-methyl-2-[7,8-dihydro-7-(2-fluoroethyl)-8-oxo-2-phenyl-9H-purin-9-yl]acetamide | 1150622-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: N-benzyl-N-methyl-2-[7,8-dihydro-7-(2-fluoroethyl)-8-oxo-2-phenyl-9H-purin-9-yl]acetamide
• 英文别名: FEDAC；N-benzyl-2-(7-(2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)-N-methylacetamide；N-benzyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]-N-methylacetamide
• CAS: 1150622-74-4
• 化学式: C₂₃H₂₂FN₅O₂
• 分子量: 419.458
• InChiKey: QJZDLHWHIBNCJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-benzyl-N-methyl-2-(8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide 、 对甲苯磺酸氟乙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以53%的产率得到N-benzyl-N-methyl-2-[7,8-dihydro-7-(2-fluoroethyl)-8-oxo-2-phenyl-9H-purin-9-yl]acetamide
  参考文献：
  名称：

  [18F]FEAC and [18F]FEDAC: Two novel positron emission tomography ligands for peripheral-type benzodiazepine receptor in the brain

  摘要：

  [F-18]FEAC ([F-18]4a) and [F-18]FEDAC ([F-18]4b) were developed as two novel positron emission tomography (PET) ligands for peripheral-type benzodiazepine receptor (PBR). [F-18]4a and [F-18]4b were synthesized by fluoroethylation of precursors 8a and 8b with [ 18F] FCH2CH2Br ([ 18F] 9), respectively. Small-animal PET scan for a neuroinflammatory rat model showed that the two radioligands had high uptakes of radioactivity in the kainic acid-infused striatum, a brain region where PBR density was increased. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.093

文献信息

• [18F]FEAC and [18F]FEDAC: Two novel positron emission tomography ligands for peripheral-type benzodiazepine receptor in the brain
  作者：Kazuhiko Yanamoto、Katsushi Kumata、Tomoteru Yamasaki、Chika Odawara、Kazunori Kawamura、Joji Yui、Akiko Hatori、Kazutoshi Suzuki、Ming-Rong Zhang

  DOI：10.1016/j.bmcl.2009.01.093

  日期：2009.3

  [F-18]FEAC ([F-18]4a) and [F-18]FEDAC ([F-18]4b) were developed as two novel positron emission tomography (PET) ligands for peripheral-type benzodiazepine receptor (PBR). [F-18]4a and [F-18]4b were synthesized by fluoroethylation of precursors 8a and 8b with [ 18F] FCH2CH2Br ([ 18F] 9), respectively. Small-animal PET scan for a neuroinflammatory rat model showed that the two radioligands had high uptakes of radioactivity in the kainic acid-infused striatum, a brain region where PBR density was increased. (C) 2009 Elsevier Ltd. All rights reserved.