N-(benzo[1,3]dioxol-4-ylmethyl)-2-Bromo-N-(2-phenyloxy-phenyl)acetamide | 1312470-10-2

• 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-(benzo[1,3]dioxol-4-ylmethyl)-2-Bromo-N-(2-phenyloxy-phenyl)acetamide
• 英文别名: N-(1,3-benzodioxol-4-ylmethyl)-2-bromo-N-(2-phenoxyphenyl)acetamide
• CAS: 1312470-10-2
• 化学式: C₂₂H₁₈BrNO₄
• 分子量: 440.293
• InChiKey: CNZBFCYVAPSZQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(benzo[1,3]dioxol-4-ylmethyl)-2-Bromo-N-(2-phenyloxy-phenyl)acetamide 在 [¹⁸F]fluoride 、 potassium hydrogencarbonate 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 作用下， 以 水 、 乙腈 为溶剂， 生成 N-(1,3-benzodioxol-4-ylmethyl)-2-(18F)fluoranyl-N-(2-phenoxyphenyl)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
• 作为产物：
  描述：

  2-硝基苯基苯基醚 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-(benzo[1,3]dioxol-4-ylmethyl)-2-Bromo-N-(2-phenyloxy-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 IMAGING AGENTS
  申请人：Wadsworth Harry John

  公开号：US20120244073A1

  公开（公告）日：2012-09-27

  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丙氨酸衍生物，适用于体内成像。与已知的芳氧基丙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到周边苯二氮平受体（PBR），并具有良好的脑摄取和体内动力学。
• Aryloxyanilide imaging agents
  申请人：Wadsworth Harry John

  公开号：US08771641B2

  公开（公告）日：2014-07-08

  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亚麻碱衍生物，适用于体内成像。与已知的芳氧基亚麻碱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表现出良好的选择性结合到外周苯二氮平受体(PBR)，结合良好的大脑摄取和在受试者内的体内动力学。
• NOVEL ARYLOXYANILIDE IMAGING AGENTS
  申请人：GE Healthcare Limited

  公开号：EP2512525B1

  公开（公告）日：2017-06-14
• US8771641B2
  申请人：——

  公开号：US8771641B2

  公开（公告）日：2014-07-08
• US9186424B2
  申请人：——

  公开号：US9186424B2

  公开（公告）日：2015-11-17