5-bromo-3-(4-(5-bromo-1H-indol-3-yl)-7-methoxy-2,2-dimethylchroman-4-yl)-1H-indole | 1454799-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-bromo-3-(4-(5-bromo-1H-indol-3-yl)-7-methoxy-2,2-dimethylchroman-4-yl)-1H-indole
• 英文别名: 5-bromo-3-[4-(5-bromo-1H-indol-3-yl)-7-methoxy-2,2-dimethyl-3H-chromen-4-yl]-1H-indole
• CAS: 1454799-92-8
• 化学式: C₂₈H₂₄Br₂N₂O₂
• 分子量: 580.319
• InChiKey: KSKYKKNIYOQHIB-UHFFFAOYSA-N

物化性质

• 沸点：
  696.0±55.0 °C(predicted)
• 密度：
  1.552±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丹皮酚 在 Fe/Al pillared clay-425 °C 作用下， 以 苯 为溶剂， 反应 3.5h， 生成 5-bromo-3-(4-(5-bromo-1H-indol-3-yl)-7-methoxy-2,2-dimethylchroman-4-yl)-1H-indole
  参考文献：
  名称：

  A new class of bactericidal agents against S. aureus, MRSA and VRE derived from bisindolylmethane

  摘要：

  A series of bisindolylmethanes (BIMs) (1a-7j) including hybrid BIMs 6a-6c were prepared for bioevaluation. The results of initial antimicrobial screening of compounds 1a-6c showed compounds 2b, 2m, 4a and 5b to be the most potent inhibitors, exhibiting MIC as well as MBC values equal to or less than that of ciprofloxacin (0.5-2 mu g/mL) against Staphylococcus aureus, MRSA and VRE. Compound 2m was selected further to study the effect of N,N' disubstitution towards antibacterial and antitumor activity. It was observed that substitution at N,N' position (7a-7j) of 2m diminishes its antibacterial activity though in vitro antitumour activity against a panel of prostate, cervical and lung cancer cell lines remains more or less intact.

  DOI：

  10.1007/s00044-013-0764-4

文献信息

• A new class of bactericidal agents against S. aureus, MRSA and VRE derived from bisindolylmethane
  作者：Deepak K. Sharma、Anil K. Tripathi、Rashmi Sharma、Reena Chib、Reyaz ur Rasool、Altaf Hussain、Baldev Singh、Anindya Goswami、Inshad A. Khan、Debaraj Mukherjee

  DOI：10.1007/s00044-013-0764-4

  日期：2014.4

  A series of bisindolylmethanes (BIMs) (1a-7j) including hybrid BIMs 6a-6c were prepared for bioevaluation. The results of initial antimicrobial screening of compounds 1a-6c showed compounds 2b, 2m, 4a and 5b to be the most potent inhibitors, exhibiting MIC as well as MBC values equal to or less than that of ciprofloxacin (0.5-2 mu g/mL) against Staphylococcus aureus, MRSA and VRE. Compound 2m was selected further to study the effect of N,N' disubstitution towards antibacterial and antitumor activity. It was observed that substitution at N,N' position (7a-7j) of 2m diminishes its antibacterial activity though in vitro antitumour activity against a panel of prostate, cervical and lung cancer cell lines remains more or less intact.