2,5-di(3-[3-fluoro-5-(4-methoxytetrahydro-4H-4-pyranyl)phenoxy]propyl)-8-methanesulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | 1236142-84-9

• 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: 2,5-di(3-[3-fluoro-5-(4-methoxytetrahydro-4H-4-pyranyl)phenoxy]propyl)-8-methanesulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
• 英文别名: 2,5-bis[3-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]propyl]-8-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• CAS: 1236142-84-9
• 化学式: C₄₂H₅₂F₂N₂O₈S
• 分子量: 782.946
• InChiKey: NXDBHBGUHISTLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  55
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  8-methylsulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 、 4-[3-(3-chloropropyloxy)-5-fluorophenyl]-4-methoxytetrahydro-4H-pyran 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以9%的产率得到2-(3-[3-fluoro-5-(4-methoxytetrahydro-4H-4-pyranyl)phenoxy]propyl)-8-methanesulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
  参考文献：
  名称：

  Synthesis and biological activity of N-aroyl-tetrahydro-γ-carbolines

  摘要：

  Research on dual inhibitors of both 5-LOX and COXs gained interest due to the overexpressions of these enzymes during the malignant state of the evolution of prostate cancer. In order to take part in this research, new N-aroyl-tetrahydro-gamma-carbolines issued from the modi. cation of Indomethacin have been synthesised. As for the NSAIDs, the compounds have been tested for their activity against COX1, COX2 plus against 5-LOX and against the proliferation of malignant prostate cancer. Interesting cytotoxic activities and selectivities of some tetrahydro-gamma-carboline derivatives have been obtained. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.034

文献信息

• Synthesis and biological activity of N-aroyl-tetrahydro-γ-carbolines
  作者：Alexandre Bridoux、Régis Millet、Jean Pommery、Nicole Pommery、Jean-Pierre Henichart

  DOI：10.1016/j.bmc.2010.04.034

  日期：2010.6.1

  Research on dual inhibitors of both 5-LOX and COXs gained interest due to the overexpressions of these enzymes during the malignant state of the evolution of prostate cancer. In order to take part in this research, new N-aroyl-tetrahydro-gamma-carbolines issued from the modi. cation of Indomethacin have been synthesised. As for the NSAIDs, the compounds have been tested for their activity against COX1, COX2 plus against 5-LOX and against the proliferation of malignant prostate cancer. Interesting cytotoxic activities and selectivities of some tetrahydro-gamma-carboline derivatives have been obtained. (C) 2010 Elsevier Ltd. All rights reserved.