N,N-diethyl-11-(2-fluoroethyl)-7-methoxy-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide | 1220198-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N,N-diethyl-11-(2-fluoroethyl)-7-methoxy-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide
• 英文别名: 11-(2-fluoroethyl)-7-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide；N,N-diethyl-11-(2-fluoroethyl)-7-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
• CAS: 1220198-16-2
• 化学式: C₂₃H₂₅FN₂O₂S
• 分子量: 412.528
• InChiKey: VWCQIIUQPHDCEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-((2-fluoroethyl)sulfonyl)-4-methylbenzene 、 3-甲氧基苯肼盐酸 、 (+/-)-4-Oxo-thiochroman-2-carboxylic acid diethyl amide 在 硫酸 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.0h， 以240 mg的产率得到N,N-diethyl-11-(2-fluoroethyl)-9-methoxy-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide
  参考文献：
  名称：

  [EN] S-ENANTIOMER OF TETRACYCLIC INDOLE DERIVATIVE AS PBR LIGANDS
  [FR] ÉNANTIOMÈRE S DE DÉRIVÉ D'INDOLE TÉTRACYCLIQUE EN TANT QUE LIGANDS DE PBR

  摘要：

  本发明涉及体内成像，特别是体内成像转位蛋白（TSPO，曾被称为外周苯二氮平受体）。提供了一种基于吲哚的体内成像剂，克服了与已知的TSPO结合放射性示踪剂相关的问题。本发明还提供了一种前体化合物，可用于合成本发明的体内成像剂，以及一种合成所述前体化合物的方法。本发明的其他方面包括一种合成本发明的体内成像剂的方法，包括使用本发明的前体化合物，用于执行该方法的工具箱，以及用于执行该方法的自动化版本的盒子。此外，本发明还提供了一种放射性药物组合物，包括本发明的体内成像剂，以及使用所述体内成像剂的方法。

  公开号：

  WO2015040151A1

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。
• S-ENANTIOMER OF TETRACYCLIC INDOLE DERIVATIVE AS PBR LIGANDS
  申请人：GE HEALTHCARE LIMITED

  公开号：US20160222024A1

  公开（公告）日：2016-08-04

  The present invention concerns in vivo imaging and in particular in vivo imaging of translocator protein (TSPO, formerly known as the peripheral benzodiazepine receptor). An indole-based in vivo imaging agent is provided that overcomes problems relating to known TSPO-binding radiotracers. 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 precursor compound. Other aspects of the invention include a method for the synthesis of the in vivo imaging agent of the invention comprising use of the precursor compound of the invention, a kit for carrying out said method, and a cassette for carrying out an automated version of said method. 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，特别是体内成像转运蛋白（TSPO，曾称外周苯二氮平受体）。提供了一种基于吲哚的体内成像剂，能够克服与已知TSPO结合放射性示踪剂相关的问题。本发明还提供了一种前体化合物，可用于合成本发明的体内成像剂，以及一种合成所述前体化合物的方法。本发明的其他方面包括使用本发明的前体化合物合成本发明的体内成像剂的方法，用于执行该方法的试剂盒，以及用于执行该方法的自动化版本的盒子。此外，本发明提供了一种放射性药物组合物，包括本发明的体内成像剂，以及使用所述体内成像剂的方法。
• [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
• 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.