3-(2-methoxycarbonylethyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(2-methoxycarbonylethyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide
• 英文别名: 3-(2-methoxycarbonylethyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide；Methyl 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propanoate;bromide
• 化学式: Br*C₁₉H₂₂NO₂
• 分子量: 376.293
• InChiKey: CRRURBKXXHFLJL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 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-(2-methoxycarbonylethyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide 、 原甲酸三乙酯 在 3-甲基吡啶 作用下， 反应 2.0h， 以290 mg的产率得到3,3'-di-(2-methoxycarbonylethyl)-1,1,1',1'-tetramethyl-1H-dibenzo[e]indocarbocyanine bromide
  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 、 3-溴丙酸甲酯 反应 1.0h， 以49%的产率得到3-(2-methoxycarbonylethyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide
  参考文献：
  名称：

  Naphthocyanines for Use as Contrast Agents

  摘要：

  在芳香核上具有可选磺酸取代基团的青霉素染料已经被开发用作手术和诊断辅助对比剂，特别是为了简化眼睛基底膜的手术切除，例如内限膜（ILM），以及染色晶状体囊。

  公开号：

  US20130131354A1

文献信息

• Naphthocyanines for Use as Contrast Agents
  申请人：Langhals Heinz

  公开号：US20130131354A1

  公开（公告）日：2013-05-23

  Cyanine dyes having optional sulfonic acid substituents on the aromatic nucleus have been developed for use as contrast agents for assisting in surgery and diagnosis, especially for simplifying the surgical removal of basal membranes of the eye, such as the internal limiting membrane (ILM), and for dyeing the lens capsule.

  在芳香核上具有可选磺酸取代基团的青霉素染料已经被开发用作手术和诊断辅助对比剂，特别是为了简化眼睛基底膜的手术切除，例如内限膜（ILM），以及染色晶状体囊。
• 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.