1-ethyl-2-((1E,3E)-5-((E)-1-ethyl-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium | 52754-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-ethyl-2-((1E,3E)-5-((E)-1-ethyl-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium
• 英文别名: D-0014；3,3-Diethylindodicarbocyanin-kation；1-ethyl-2-[(2E,4E)-5-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole
• CAS: 52754-39-9
• 化学式: C₂₉H₃₅N₂
• 分子量: 411.61
• InChiKey: KYFRKHUJZPDPDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,3,3-三甲基-3H-吲哚 在 sodium acetate 作用下， 以 乙醇 、 邻二氯苯 为溶剂， 反应 32.0h， 生成 1-ethyl-2-((1E,3E)-5-((E)-1-ethyl-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium
  参考文献：
  名称：

  Symmetrical and Asymmetrical Cyanine Dyes. Synthesis, Spectral Properties, and BSA Association Study

  摘要：

  New cyanines were prepared by an efficient and practical route with satisfactory overall yield from low-cost starting materials. The photophysical behavior of the cyanines was investigated using UV-vis and steady-state fluorescence in solution, as well as their association with bovine serum albumin (BSA) in phosphate buffer solution (PBS). No cyanine aggregation was observed in organic solvents or in phosphate buffer solution. The alkyl chain length in the quaternized nitrogen was shown to be fundamental for BSA detection in PBS in these dyes.

  DOI：

  10.1021/jo500657s

文献信息

• [EN] NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF<br/>[FR] AGENTS DE CONTRASTE POUR LA BIOIMAGERIE DANS LE PROCHE INFRAROUGE ET LEURS MÉTHODES D'UTILISATION
  申请人：BETH ISRAEL HOSPITAL

  公开号：WO2015066290A1

  公开（公告）日：2015-05-07

  The instant invention provides near-infrared fluorescent biological contrast agents and methods of using them.

  这项发明提供了近红外荧光生物对比剂及其使用方法。
• PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES
  申请人：Lukhtanov Eugeny

  公开号：US20080207887A1

  公开（公告）日：2008-08-28

  Reagents are provided for the introduction of phosphonate groups into fluorescent dyes. Methods are also provided for preparing dye conjugates.

  试剂提供了将膦酸酯基团引入荧光染料中的方法。同时还提供了制备染料偶联物的方法。
• Phosphonate fluorescent dyes and conjugates
  申请人：Lukhtanov Eugeny

  公开号：US20070172832A1

  公开（公告）日：2007-07-26

  Reagents are provided for the introduction of phosphonate groups into fluorescent dyes. Methods are also provided for preparing dye conjugates.

  提供试剂用于将膦酸基团引入荧光染料中。同时还提供了制备染料共轭物的方法。
• Active Particles for Bio-Analytical Applications and Methods for Their Preparation
  申请人：Bonacchi Sara

  公开号：US20110274621A1

  公开（公告）日：2011-11-10

  Nanoparticles, which are luminescent and/or electroactive and/or suitable for MRI (magnetic resonance imaging and/or PET (positron emission tomography) applications, comprise a micelle, which has a hydrophilic shell and an hydrophobic central portion, and a polysilicate core; the micelle comprises a plurality of molecules of a functionalized surfactant having the following structure: M 1 -Hydro 1 -Lipo-Hydro 2 -M 2 wherein Lipo indicates a hydrophobic chain; Hydro1 ed Hydro 2 indicate, each, a respective hydrophilic chain; M 1 ed M 2 represent respective recognition functionalities.

  具有发光和/或电活性和/或适用于MRI（磁共振成像）和/或PET（正电子发射断层扫描）应用的纳米颗粒，包括一个胶束，其具有亲水性外壳和疏水性中心部分，以及一个聚硅酸酯核心；该胶束包括多种具有以下结构的功能化表面活性剂分子：M1-Hydro1-Lipo-Hydro2-M2，其中Lipo表示疏水链；Hydro1和Hydro2分别表示各自的亲水链；M1和M2表示各自的识别功能。
• PHOSPHONATE FLUORESCENT DYES AND CONJUGATES
  申请人：Lukhtanov Eugeny

  公开号：US20100261903A1

  公开（公告）日：2010-10-14

  Reagents are provided for the introduction of phosphonate groups into fluorescent dyes. Methods are also provided for preparing dye conjugates.

  试剂提供了将膦酸酯基团引入荧光染料中的方法。还提供了制备染料偶联物的方法。