N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide | 1400637-57-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide
• CAS: 1400637-57-1
• 化学式: C₂₁H₂₀FN₃O₄
• 分子量: 397.406
• InChiKey: ZOEFNTRMPQLMLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-Nitro-4-phenoxypyrimidine 在 sodium tetrahydroborate 、 10% Pd/C 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(4-phenoxypyrimidin-5-yl)acetamide
  参考文献：
  名称：

  Exploration of the structure–activity relationship of the diaryl anilide class of ligands for translocator protein—potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel ligands based on the diaryl anilide (DAA) class of translocator protein (TSPO) ligands was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands and will be evaluated further as potential clinical imaging agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.093

文献信息

• Exploration of the structure–activity relationship of the diaryl anilide class of ligands for translocator protein—potential novel positron emitting tomography imaging agents
  作者：Harry Wadsworth、Paul A. Jones、Wai-Fung Chau、Clare Durrant、Véronique Morisson-Iveson、Joanna Passmore、Dennis O’Shea、Duncan Wynn、Imtiaz Khan、Andrew Black、Michelle Avory、William Trigg

  DOI：10.1016/j.bmcl.2012.07.093

  日期：2012.9

  A series of novel ligands based on the diaryl anilide (DAA) class of translocator protein (TSPO) ligands was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands and will be evaluated further as potential clinical imaging agents. (C) 2012 Elsevier Ltd. All rights reserved.