3-bromo-4-(5-butoxy-2-(3-methoxyphenyl)-1H-indol-3-yl)-1-(tert-butyldimethylsilyl)-1H-pyrrole-2,5-dione | 1017260-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-bromo-4-(5-butoxy-2-(3-methoxyphenyl)-1H-indol-3-yl)-1-(tert-butyldimethylsilyl)-1H-pyrrole-2,5-dione
• CAS: 1017260-16-0
• 化学式: C₂₉H₃₅BrN₂O₄Si
• 分子量: 583.597
• InChiKey: ZEIRIUZLWWWMME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  71.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-bromo-4-(5-butoxy-2-(3-methoxyphenyl)-1H-indol-3-yl)-1-(tert-butyldimethylsilyl)-1H-pyrrole-2,5-dione 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以0.2 g的产率得到3-bromo-4-[5-butoxy-2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione
  参考文献：
  名称：

  Antibacterial activity of a novel series of 3-bromo-4-(1H-3-indolyl)-2,5-dihydro-1H-2,5-pyrroledione derivatives – An extended structure–activity relationship study

  摘要：

  Compounds containing 3-bromo-2,5-dihydro-1H-2,5-pyrroledione and indole substructures were found to have antibacterial activity against resistant strains of Staphylococcus aureus and some other Gram positive bacteria. The investigated compounds exhibit minimal inhibition concentrations (MICs) lower than those of common antibiotics like vancomycin or ciprofloxacin. Activity against multiresistant strains suggests a mechanism of action different from common antibiotics. This might be important in circumventing existing resistance mechanisms. Here we report about the antibacterial activity in an extended structure-activity relationship study. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.009
• 作为产物：
  描述：

  5-butoxy-2-(3-methoxyphenyl)-1H-indole 、 3,4-dibromo-1-(tert-butyldimethylsilyl)-1H-pyrrole-2,5-dione 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 3-bromo-4-(5-butoxy-2-(3-methoxyphenyl)-1H-indol-3-yl)-1-(tert-butyldimethylsilyl)-1H-pyrrole-2,5-dione
  参考文献：
  名称：

  Antibacterial activity of a novel series of 3-bromo-4-(1H-3-indolyl)-2,5-dihydro-1H-2,5-pyrroledione derivatives – An extended structure–activity relationship study

  摘要：

  Compounds containing 3-bromo-2,5-dihydro-1H-2,5-pyrroledione and indole substructures were found to have antibacterial activity against resistant strains of Staphylococcus aureus and some other Gram positive bacteria. The investigated compounds exhibit minimal inhibition concentrations (MICs) lower than those of common antibiotics like vancomycin or ciprofloxacin. Activity against multiresistant strains suggests a mechanism of action different from common antibiotics. This might be important in circumventing existing resistance mechanisms. Here we report about the antibacterial activity in an extended structure-activity relationship study. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.009