(E)-4-[N,N-bis(2'-chloroethyl)anilino]ethenyl-N-methylpyridinium iodide | 878130-56-4

• 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: (E)-4-[N,N-bis(2'-chloroethyl)anilino]ethenyl-N-methylpyridinium iodide
• CAS: 878130-56-4
• 化学式: C₁₈H₂₁Cl₂N₂*I
• 分子量: 463.189
• InChiKey: HEHODMDFVUVFTG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  7.12
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  N,N-二羟乙基苯胺 在 哌啶 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 (E)-4-[N,N-bis(2'-chloroethyl)anilino]ethenyl-N-methylpyridinium iodide
  参考文献：
  名称：

  Synthesis, crystal structure, optical properties, DNA-binding and cell imaging of an organic chromophore

  摘要：

  An organic chromophore (4-[N, N- bis(2'-chloroethyl)anilino] ethenyl N-methyl pyridinium-N- methyl iodide) L was synthesized and fully characterized by elemental analysis, IR, (HNMR)-H-1 spectra and single crystal X-ray diffraction analysis. One and two-photon fluorescence spectra for it were studied. Interestingly, L exhibited obvious two-photon absorption in the range from 700-850 nm in DMSO solution. The interactions between the chromophore and calf thymus DNA were investigated by absorption, fluorescence spectra and viscosity experiments. The results showed that the chromophore could interact with DNA in the mode of intercalation and be effectively used as fluorescent staining dye for cell imaging applications. Furthermore, the cell viability data for MCF-7 (Human breast carcinoma) cells indicated that the low-micromolar concentrations of the L are essentially non-toxic and can be applied in brighter two-photon fluorescent (TPF) bioimaging. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.06.021