1-(2,6-diisopropylphenyl)-3-(4-bromobenzoylmethyl)imidazolium bromide | 919281-64-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,6-diisopropylphenyl)-3-(4-bromobenzoylmethyl)imidazolium bromide
• 英文别名: 1-(4-Bromophenyl)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]ethanone;bromide
• CAS: 919281-64-4
• 化学式: Br*C₂₃H₂₆BrN₂O
• 分子量: 506.28
• InChiKey: SMVHOJHFGISIAI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  25.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4'-二溴苯乙酮 、 1-(2,6-二异丙基苯基)-1H-咪唑 以 甲苯 为溶剂， 生成 1-(2,6-diisopropylphenyl)-3-(4-bromobenzoylmethyl)imidazolium bromide
  参考文献：
  名称：

  Synthesis and cytotoxic activities of novel phenacylimidazolium bromides

  摘要：

  A series of novel phenacylimidazolium derivatives, bearing an aryl or alkyl substituent at position-1 and a phenacyl substituent at position-3 of the imidazole ring, has been prepared and evaluated in vitro against a panel of human tumor cell lines. Phenacylimidazolium bromides bearing a highly sterically hindered aryl group at position-1 and an electron-rich phenacyl or naphthylacyl substituent at position-3 of imidazole ring proved to be more active than imidazolium bromides with other substituted groups. In particular, compound 5j was found to be the most potent compounds with IC50 values lower than 5.0 mu M against 8 strains human tumor cell lines and more active than cisplatin (DDP). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.065

文献信息

• Synthesis and cytotoxic activities of novel phenacylimidazolium bromides
  作者：Xiao-Dong Yang、Xiang-Hui Zeng、Yan-Li Zhang、Chen Qing、Wen-Jian Song、Liang Li、Hong-Bin Zhang

  DOI：10.1016/j.bmcl.2009.02.065

  日期：2009.4

  A series of novel phenacylimidazolium derivatives, bearing an aryl or alkyl substituent at position-1 and a phenacyl substituent at position-3 of the imidazole ring, has been prepared and evaluated in vitro against a panel of human tumor cell lines. Phenacylimidazolium bromides bearing a highly sterically hindered aryl group at position-1 and an electron-rich phenacyl or naphthylacyl substituent at position-3 of imidazole ring proved to be more active than imidazolium bromides with other substituted groups. In particular, compound 5j was found to be the most potent compounds with IC50 values lower than 5.0 mu M against 8 strains human tumor cell lines and more active than cisplatin (DDP). (C) 2009 Elsevier Ltd. All rights reserved.