N-(2-hydroxypyridin-3-ylmethyl)-N-(2-phenoxy-phenyl)acetamide | 1245623-87-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-hydroxypyridin-3-ylmethyl)-N-(2-phenoxy-phenyl)acetamide
• 英文别名: N-(2-Hydroxy-pyridin-3-ylmethyl)-N-(2-phenoxy-phenyl)-acetamide；N-[(2-oxo-1H-pyridin-3-yl)methyl]-N-(2-phenoxyphenyl)acetamide
• CAS: 1245623-87-3
• 化学式: C₂₀H₁₈N₂O₃
• 分子量: 334.375
• InChiKey: KHEOKCRDUGCQBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2-hydroxypyridin-3-ylmethyl)-N-(2-phenoxy-phenyl)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 24.0h， 以20%的产率得到N-[2-(2-fluoroethoxy)pyridin-3-ylmethyl]-N-(2-phenoxy-phenyl)acetamide
  参考文献：
  名称：

  JP5787873

  摘要：

  公开号：
• 作为产物：
  描述：

  苯酚 在 sodium tetrahydroborate 、 10% Pd/C 、 氢气 、 potassium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-hydroxypyridin-3-ylmethyl)-N-(2-phenoxy-phenyl)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

• ARYLOXYANILIDE DERIVATIVES
  申请人：Wadsworth Harry John

  公开号：US20120003154A1

  公开（公告）日：2012-01-05

  The present invention provides a novel radiolabeled aryloxyalinine derivative suitable for in vivo imaging. In comparison to known aryloxyalinine derivative in vivo imaging agents, the in vivo imaging agent of the present invention has better properties for in vivo imaging. The in vivo imaging agent of the present invention demonstrates good selective binding to the peripheral benzodiazepine receptor (PBR), in combination with good brain uptake and in vivo kinetics following administration to a subject.

  本发明提供了一种新型放射性标记的芳氧基脯氨酸衍生物，适用于体内成像。与已知的芳氧基脯氨酸衍生物体内成像剂相比，本发明的体内成像剂具有更好的体内成像性能。本发明的体内成像剂在给予受试者后，表现出良好的选择性结合外周苯二氮平受体（PBR），结合良好的脑吸收和体内动力学。
• RADIOLABELLED PYRIDINYL DERIVATIVES FOR IN-VIVO IMAGING
  申请人：GE Healthcare Limited

  公开号：EP2408451A2

  公开（公告）日：2012-01-25
• [EN] ARYLOXYANILIDE DERIVATIVES<br/>[FR] DÉRIVÉS D'ARYLOXYANILIDE
  申请人：GE HEALTHCARE LTD

  公开号：WO2010106166A2

  公开（公告）日：2010-09-23

  The present invention provides a novel radiolabeled aryloxyalinine derivative suitable for in vivo imaging. In comparison to known aryloxyalinine derivative in vivo imaging agents, the in vivo imaging agent of the present invention has better properties for in vivo imaging. The in vivo imaging agent of the present invention demonstrates good selective binding to the peripheral benzodiazepine receptor (PBR), in combination with good brain uptake and in vivo kinetics following administration to a subject.
• 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.
• JP5787873
  申请人：——

  公开号：——

  公开（公告）日：——