1-(ferrocenylmethyl)-3-dodecylimidazolium bromide | 1462911-72-3

• 英文名称: 1-(ferrocenylmethyl)-3-dodecylimidazolium bromide
• CAS: 1462911-72-3
• 化学式: Br*C₂₆H₃₉FeN₂
• 分子量: 515.36
• InChiKey: XEEOMQQYXWPQLO-UHFFFAOYSA-M

物化性质

• 熔点：
  77-79 °C

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1-(ferrocenylmethyl)-3-dodecylimidazolium bromide 、 bis(trifluoromethane)sulfonimide lithium 以 水 为溶剂， 生成 1-(methylferrocenyl)-3-dodecylimidazolium bis(trifluoromethanesulfonyl)amide
  参考文献：
  名称：

  不同烷基链长的二茂铁-咪唑氧化还原离子液体的电导率和电化学

  摘要：

  DOI：

  10.1149/2.017404jes
• 作为产物：
  描述：

  1-(ferrocenylmethyl)imidazole 、 溴代十二烷 以 乙腈 为溶剂， 以68%的产率得到1-(ferrocenylmethyl)-3-dodecylimidazolium bromide
  参考文献：
  名称：

  Anticancer activity and molecular docking studies of ferrocene tethered ionic liquids

  摘要：

  A novel series of ferrocene tethered ionic liquids (ILs) has been synthesized by quaternization of 1-N-(ferrocenylmethyl)benzimidazole, 1-N-(ferrocenylmethyl)imidazole and 1-N-(ferrocenylmethyl)-1,2,4-triazole with long chain alkyl bromides. The synthesized ILs were screened for their anticancer activity against human breast cancer cell line MCF-7. ILs 2a-d and 4b displayed significant anticancer activity (GI(50) 0.016-0.064 mu M). IL 2d was found to be the most active with GI(50) value of 0.016 mu M which was even less than the standard drug doxorubicin (GI(50) = 0.018 mu M). AII ILs exhibit moderate to good selectivity against breast cancer cells MCF-7 over normal Vero cells. The ADME prediction studies revealed that all the ILs exhibit good pharmacological parameters. The molecular docking studies ascertained mode of action of the ILs via inhibition of lysosomal peptidase cathepsin B. (C) 2019 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2019.111182