6-Methoxy-3-[6-[6-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-4-(trifluoromethyl)pyridin-2-yl]-1-(4-methylphenyl)sulfonylindole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-Methoxy-3-[6-[6-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-4-(trifluoromethyl)pyridin-2-yl]-1-(4-methylphenyl)sulfonylindole
• 化学式: C₃₈H₃₀F₃N₃O₆S₂
• 分子量: 745.8
• InChiKey: HBKJUHKGJPIOSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  6-methoxy-1-tosyl-1H-indole 在 四(三苯基膦)钯 mercury(II) diacetate 、 sodium carbonate 作用下， 以 甲醇 、 溶剂黄146 、 苯 为溶剂， 反应 7.0h， 生成 6-Methoxy-3-[6-[6-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-4-(trifluoromethyl)pyridin-2-yl]-1-(4-methylphenyl)sulfonylindole
  参考文献：
  名称：

  Synthesis of Novel Analogues of Marine Indole Alkaloids: Mono(indolyl)-4-trifluoromethylpyridines and Bis(indolyl)-4-trifluoromethylpyridines as Potential Anticancer Agents

  摘要：

  Mono(indolyl)-4-trifluoromethylpyridines and bis(indolyl)-4-trifluoromethylpyridines were synthesized using Suzuki cross-coupling reaction between 2-chloro-4-trifluoromethylpyridine 9, 2,6-dichloro-4-trifluoromethylpyridine 6 or 2,6-dichloro-3-cyano-4-trifluoromethylpyridine 23 and N-tosyl-3-indolylboronic acid 10. They were evaluated for cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxylindolyl)]pyridine 18 was identified as the most potent in this series. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00070-0

文献信息

• Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines
  作者：Biao Jiang、Xen-Nan Xiong、Cai-Guang Yang

  DOI：10.1016/s0960-894x(00)00704-6

  日期：2001.2

  A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most potent in this series. (C) 2001 Elsevier Science Ltd. All rights reserved.