2-(6-anilinohexatrienyl)-1-5-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolinium inner salt | 1164241-01-3

• 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: 2-(6-anilinohexatrienyl)-1-5-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolinium inner salt
• CAS: 1164241-01-3
• 化学式: C₂₈H₃₂N₂O₅S
• 分子量: 508.638
• InChiKey: VTQDQWMMZYOCLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.35
• 重原子数：
  36.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  109.54
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(6-anilinohexatrienyl)-1-5-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolinium inner salt 在 盐酸 、 potassium acetate 、 乙酸酐 、 溶剂黄146 作用下， 以 丙酮 为溶剂， 反应 8.0h， 生成 1,1'-(7,14-diaza-6,15-diketoicosane-1,18-diyl)-3,3,3',3'-tetramethyl-5,5'-disulfoindotricarbocyanine sodium salt
  参考文献：
  名称：

  Near-infrared heptamethine cyanine dyes. Synthesis, spectroscopic characterization, thermal properties and photostability

  摘要：

  Near-infrared heptamethine cyanine dyes were synthesized without substitution to the polyene chain but with various substituents on the indoleninium fragments. To develop indotricarbocyanine dyes with improved photochemical characteristics, we studied the relationship between the structures of these compounds, their spectral properties, their photostability, and thermal stability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.12.031
• 作为产物：
  描述：

  6-溴己酸 在 乙酸酐 、 溶剂黄146 作用下， 反应 33.0h， 生成 2-(6-anilinohexatrienyl)-1-5-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolinium inner salt
  参考文献：
  名称：

  Near-infrared heptamethine cyanine dyes. Synthesis, spectroscopic characterization, thermal properties and photostability

  摘要：

  Near-infrared heptamethine cyanine dyes were synthesized without substitution to the polyene chain but with various substituents on the indoleninium fragments. To develop indotricarbocyanine dyes with improved photochemical characteristics, we studied the relationship between the structures of these compounds, their spectral properties, their photostability, and thermal stability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.12.031

文献信息

• MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US20150218380A1

  公开（公告）日：2015-08-06

  Chemically reactive carbocyanine dyes incorporating an indolium ring moiety that is substituted at the 3-position by a reactive group or by a conjugated substance, and their uses, are described. Conjugation through this position results in spectral properties that are uniformly superior to those of conjugates of spectrally similar dyes wherein attachment is at a different position. The invention includes derivative compounds having one or more benzo nitrogens.

  化学反应性碳氰染料包含一个在3位被反应性基团或共轭物质取代的吲哚环部分，并描述了它们的用途。通过这个位置的共轭导致光谱特性均优于在不同位置附着的光谱相似染料的共轭物。该发明包括具有一个或多个苯并氮的衍生化合物。
• Fluorescent compounds
  申请人：Mao Fei

  公开号：US09097667B2

  公开（公告）日：2015-08-04

  The present invention relates to fluorescent dyes. The present invention provides a wide range of fluorescent dyes and kits containing the same, which are applicable for labeling a variety of biomolecules, cells and microorganisms. In one aspect, the invention provides a compound having a maximal fluorescence excitation wavelength, wherein the compound has a structure of Formula II: F—Y=Ψ  Formula II and wherein Z— is a counterion, Y is a bridge unit permitting electron delocalization between F and Ψ, and F is a moiety having the structure: The present invention also provides various methods of using the fluorescent dyes for research and development, forensic identification, environmental studies, diagnosis, prognosis, and/or treatment of disease conditions.

  本发明涉及荧光染料。本发明提供了一系列广泛的荧光染料和包含这些染料的试剂盒，适用于标记各种生物分子、细胞和微生物。在一个方面，本发明提供了一种具有最大荧光激发波长的化合物，其中该化合物具有以下结构：F—Y=Ψ，其中Z—是一个反离子，Y是一个桥接单元，允许F和Ψ之间的电子共轭，F是具有以下结构的一个基团：本发明还提供了使用荧光染料进行研究和开发、法医鉴定、环境研究、诊断、预后和/或治疗疾病状况的各种方法。