3-(6-ethoxy-6-oxohexyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide | 190714-35-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(6-ethoxy-6-oxohexyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide
• 英文别名: 3-(5-ethoxycarbonylpentyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide；3-(6-ethoxy-6-oxohexyl)-1,1,2-trimethyl-1H-benz[e]indol-3-ium bromide；3-(5-ethoxycarbonylpentyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide；Ethyl 6-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoate;bromide
• CAS: 190714-35-3
• 化学式: Br*C₂₃H₃₀NO₂
• 分子量: 432.401
• InChiKey: CFQLEKQFKQTILZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  29.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(6-ethoxy-6-oxohexyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide 在 发烟硫酸 作用下， 以 硝基苯 为溶剂， 以111 mg的产率得到3-(5-ethoxycarbonylpentyl)-1,1,2-trimethyl-1H-sulfobenzo[e]indole
  参考文献：
  名称：

  Cyanine Dyes as Optical Contrast Agents for Ophthalmological Surgery

  摘要：

  Cyanine dyes were prepared as optical contrast media for supporting the surgery of the lamina limitans interna (LLI) of the retina and other structures of the human eye. Their absorption spectra were adapted both to the spectral sensitivity of the human eye and to standard illumination. The contrast could be further amplified by the application of the strong fluorescence of the dyes used. The binding of the dyes to various surfaces was studied. No toxic effects could be detected for the applied dyes.

  DOI：

  10.1021/jm2001986
• 作为产物：
  描述：

  1,1,2-三甲基苯-1H-苯并[e]吲哚 、 6-溴己酸乙酯 在 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 96.0h， 以92%的产率得到3-(6-ethoxy-6-oxohexyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide
  参考文献：
  名称：

  A polyamine-modified near-infrared fluorescent probe for selective staining of live cancer cells

  摘要：

  已开发出一种新型聚胺修饰的近红外荧光探针，可在非癌细胞存在的情况下选择性地标记活体癌细胞。

  DOI：

  10.1039/c5cc01637a

文献信息

• Cyanine compounds and their use in staining biological samples
  申请人：Shao Jianhui

  公开号：US08383830B2

  公开（公告）日：2013-02-26

  Cyanine compounds having the general formula I for staining biological samples, wherein R1, R2, X, Y, A1 and A2 are as defined in the specification. These kinds of compounds may show good light illumination stability, have a maximum absorption peak around 640 nm that may not change as a function of ambient temperature, have rapidly increased fluorescence intensity upon binding to nucleic acids to form compound/nucleic acid complexes, and have a light spectrum in the near-infrared region, thereby effectively reducing interference from background fluorescence and increasing the accuracy of the detection when used as a staining agent for nucleic acids in a flow cytometer. The compounds provided can be used as a staining agent for erythroblasts in the blood.

  靛蓝化合物具有一般公式I，用于染色生物样本，其中R1、R2、X、Y、A1和A2如规范中所定义。这种化合物可能表现出良好的光照稳定性，具有大约在640纳米附近的最大吸收峰，可能不随环境温度变化，结合到核酸形成化合物/核酸复合物时，具有快速增加的荧光强度，并且在近红外区域具有光谱，从而有效降低背景荧光的干扰，并在流式细胞仪中用作核酸染色剂时增加检测的准确性。所提供的化合物可用作血液中红细胞的染色剂。
• A polyamine-modified near-infrared fluorescent probe for selective staining of live cancer cells
  作者：Sandra G. König、Simin Öz、Roland Krämer

  DOI：10.1039/c5cc01637a

  日期：——

  A novel polyamine-modified near-infrared fluorescent probe has been developed that allows for selective labeling of living cancer cells in presence of non-cancer cells.

  已开发出一种新型聚胺修饰的近红外荧光探针，可在非癌细胞存在的情况下选择性地标记活体癌细胞。
• Cyanine Dyes as Optical Contrast Agents for Ophthalmological Surgery
  作者：Heinz Langhals、Ana Varja、Peter Laubichler、Marcus Kernt、Kirsten Eibl、Christos Haritoglou

  DOI：10.1021/jm2001986

  日期：2011.6.9

  Cyanine dyes were prepared as optical contrast media for supporting the surgery of the lamina limitans interna (LLI) of the retina and other structures of the human eye. Their absorption spectra were adapted both to the spectral sensitivity of the human eye and to standard illumination. The contrast could be further amplified by the application of the strong fluorescence of the dyes used. The binding of the dyes to various surfaces was studied. No toxic effects could be detected for the applied dyes.