(+/-)-7-fluoro-4-oxo-thiochroman-2-carboxylic acid | 1220197-99-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: (+/-)-7-fluoro-4-oxo-thiochroman-2-carboxylic acid
• 英文别名: 7-Fluoro-4-oxo-2,3-dihydrothiochromene-2-carboxylic acid
• CAS: 1220197-99-8
• 化学式: C₁₀H₇FO₃S
• 分子量: 226.228
• InChiKey: YFVNNYKPLCDJEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (+/-)-7-fluoro-4-oxo-thiochroman-2-carboxylic acid 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 (+/-)-7-fluoro-4-oxo-thiochroman-2-carboxylic acid diethylamide
  参考文献：
  名称：

  Exploration of the structure–activity relationship of a novel tetracyclic class of TSPO ligands—Potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel TSPO ligands based on the tetracyclic class of translocator protein (TSPO) ligands first described by Okubo et al. 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. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.057
• 作为产物：
  描述：

  马来酸酐 、 3-氟苯硫酚 在 三乙胺 、 aluminum (III) chloride 作用下， 以 甲苯 为溶剂， 生成 (+/-)-7-fluoro-4-oxo-thiochroman-2-carboxylic acid
  参考文献：
  名称：

  Exploration of the structure–activity relationship of a novel tetracyclic class of TSPO ligands—Potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel TSPO ligands based on the tetracyclic class of translocator protein (TSPO) ligands first described by Okubo et al. 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. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.057

文献信息

• IMAGING NEUROINFLAMMATION
  申请人：Wadsworth Harry John

  公开号：US20110190618A1

  公开（公告）日：2011-08-04

  The present invention concerns in vivo imaging and in particular in vivo imaging of the peripheral benzodiazepine receptor (PBR). A tetracyclic indole in vivo imaging agent is provided that binds with high affinity to PBR, has good uptake into the brain following administration, and which preferentially binds to tissues expressing higher levels of PBR. The present invention also provides a precursor compound useful in the synthesis of the in vivo imaging agent of the invention, as well as a method for synthesis of said in vivo imaging agent comprising use of said precursor compound, and a kit for carrying out said method. A cassette for the automated synthesis of the in vivo imaging agent is also provided. In addition, the invention provides a radiopharmaceutical composition comprising the in vivo imaging agent of the invention, as well as methods for the use of said in vivo imaging agent.

  本发明涉及体内成像，特别是外周苯二氮平受体（PBR）的体内成像。提供了一种四环吲哚体内成像试剂，它具有高亲和力结合PBR，在给药后良好地吸收到大脑，并且优先结合表达更高水平PBR的组织。本发明还提供了用于合成本发明的体内成像试剂的前体化合物，以及一种合成上述体内成像试剂的方法，包括使用该前体化合物，并提供用于执行该方法的试剂盒。还提供了一种用于自动合成体内成像试剂的盒子。此外，本发明还提供了包含本发明的体内成像试剂的放射性药物组合物，以及使用该体内成像试剂的方法。
• [EN] INDOLE DERIVATIVES SUITABLE FOR IMAGING NEUROINFLAMMATION<br/>[FR] IMAGERIE DE NEURO-INFLAMMATION
  申请人：GE HEALTHCARE LTD

  公开号：WO2010037851A3

  公开（公告）日：2010-07-01
• INDOLE DERIVATIVES SUITABLE FOR IMAGING NEUROINFLAMMATION
  申请人：GE Healthcare Limited

  公开号：EP2346880A2

  公开（公告）日：2011-07-27
• US9481685B2
  申请人：——

  公开号：US9481685B2

  公开（公告）日：2016-11-01
• [EN] IMAGING NEUROINFLAMMATION<br/>[FR] IMAGERIE DE NEURO-INFLAMMATION
  申请人：GE HEALTHCARE LTD

  公开号：WO2010037851A2

  公开（公告）日：2010-04-08

  The present invention concerns in vivo imaging and in particular in vivo imaging of the peripheral benzodiazepine receptor (PBR). A tetracyclic indole in vivo imaging agent is provided that binds with high affinity to PBR, has good uptake into the brain following administration, and which preferentially binds to tissues expressing higher levels of PBR. The present invention also provides a precursor compound useful in the synthesis of the in vivo imaging agent of the invention, as well as a method for synthesis of said in vivo imaging agent comprising use of said precursor compound, and a kit for carrying out said method. A cassette for the automated synthesis of the in vivo imaging agent is also provided. In addition, the invention provides a radiopharmaceutical composition comprising the in vivo imaging agent of the invention, as well as methods for the use of said in vivo imaging agent.