(+/-)-11-[2-(tert-butyl-dimethyl-silanyloxy)ethyl]-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide | 1220198-06-0

• 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: (+/-)-11-[2-(tert-butyl-dimethyl-silanyloxy)ethyl]-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide
• 英文别名: 11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N,N-diethyl-8-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
• CAS: 1220198-06-0
• 化学式: C₂₉H₄₀N₂O₃SSi
• 分子量: 524.8
• InChiKey: RXEHYVBETWJAAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.35
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  69
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-)-11-[2-(tert-butyl-dimethyl-silanyloxy)ethyl]-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide 在 三溴化硼 、 盐酸 、 水 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 1.0h， 以100%的产率得到(+/-)-11-[2-hydroxyethyl]-8-hydroxy-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-carboxylic acid diethylamide
  参考文献：
  名称：

  [EN] INDOLE DERIVATIVES SUITABLE FOR IMAGING NEUROINFLAMMATION
  [FR] IMAGERIE DE NEURO-INFLAMMATION

  摘要：

  公开号：

  WO2010037851A3
• 作为产物：
  描述：

  4-氧代硫代苯并二氢吡喃-2-羧酸 在 草酰氯 、 硫酸 、 sodium hydride 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (+/-)-11-[2-(tert-butyl-dimethyl-silanyloxy)ethyl]-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene-6-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

文献信息

• Exploration of the structure–activity relationship of a novel tetracyclic class of TSPO ligands—Potential novel positron emitting tomography imaging agents
  作者：Dennis O’Shea、Rabia Ahmad、Erik Årstad、Michelle Avory、Wai-Fung Chau、Clare Durrant、Ella Hirani、Paul A. Jones、Imtiaz Khan、Sajinder K. Luthra、Dimitrios Mantzilas、Véronique Morisson-Iveson、Joanna Passmore、Edward G. Robins、Bo Shan、Harry Wadsworth、Sarah Walton、Yongjun Zhao、William Trigg

  DOI：10.1016/j.bmcl.2013.02.057

  日期：2013.4

  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.
• [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