9-(2-(benzyloxy)ethyl)-6-ethoxy-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide | 1360061-80-8

• 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: 9-(2-(benzyloxy)ethyl)-6-ethoxy-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide
• CAS: 1360061-80-8
• 化学式: C₂₈H₃₆N₂O₃
• 分子量: 448.605
• InChiKey: DYMOVLLKIUNPQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.55
• 重原子数：
  33.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  43.7
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  9-(2-(benzyloxy)ethyl)-6-ethoxy-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-(4-(diethylcarbamoyl)-6-ethoxy-1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl methanesulfonate
  参考文献：
  名称：

  [18F]GE-180: A novel fluorine-18 labelled PET tracer for imaging Translocator protein 18kDa (TSPO)

  摘要：

  A series of tricyclic compounds have been synthesised and evaluated in vitro for affinity against Translocator protein 18 kDa (TSPO) and for preferred imaging properties. The most promising of the compounds were radiolabelled and evaluated in vivo to determine biodistribution and specificity for high expressing TSPO regions. Metabolite profiling in brain and plasma was also investigated. Evaluation in an autoradiography model of neuroinflammation was also carried out for the best compound, 12a ([F-18]GE-180). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.084
• 作为产物：
  描述：

  3-bromo-2-hydroxy-cyclohex-1-enecarboxylic acid ethyl ester 在 草酰氯 、 水 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 9-(2-(benzyloxy)ethyl)-6-ethoxy-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide
  参考文献：
  名称：

  [18F]GE-180: A novel fluorine-18 labelled PET tracer for imaging Translocator protein 18kDa (TSPO)

  摘要：

  A series of tricyclic compounds have been synthesised and evaluated in vitro for affinity against Translocator protein 18 kDa (TSPO) and for preferred imaging properties. The most promising of the compounds were radiolabelled and evaluated in vivo to determine biodistribution and specificity for high expressing TSPO regions. Metabolite profiling in brain and plasma was also investigated. Evaluation in an autoradiography model of neuroinflammation was also carried out for the best compound, 12a ([F-18]GE-180). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.084