5-[3-[1-[1,1-Dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]penta-1,3-dien-3-yl]phenyl]pentanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-[3-[1-[1,1-Dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]penta-1,3-dien-3-yl]phenyl]pentanoic acid
• 英文别名: 5-[3-[1-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]penta-1,3-dien-3-yl]phenyl]pentanoic acid
• 化学式: C50H55N2O20S6+
• 分子量: 1196.4
• InChiKey: SWEFUSNSDUYHBC-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  78
• 可旋转键数：
  21
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  420
• 氢给体数：
  7
• 氢受体数：
  21

文献信息

• [EN] APPLICATION OF REDUCED DYES IN IMAGING<br/>[FR] APPLICATION DE COLORANTS RÉDUITS EN IMAGERIE
  申请人：LI COR INC

  公开号：WO2013044156A1

  公开（公告）日：2013-03-28

  The present invention provides novel compounds and methods for hydrocyanines derived from near-infrared cyanine dyes, as reactive oxygen species probes in imaging. In certain embodiments, the present invention provides reduced dyes as substrates for ELISA and Western blots. In certain instances, the compounds are useful for detecting reactive oxygen species (ROS) probes for in vivo applications.

  本发明提供了从近红外青霉素染料衍生的新化合物和用于成像的氢氰染料的方法，作为反应性氧化物探针。在某些实施例中，本发明提供了作为ELISA和Western blots底物的还原染料。在某些情况下，这些化合物用于检测体内应用的反应性氧化物探针（ROS）。
• CYANINE DYES AND THEIR CONJUGATES
  申请人：Li-Cor, Inc.

  公开号：US20130274452A1

  公开（公告）日：2013-10-17

  Compounds and methods are disclosed that are useful for noninvasive imaging in the near-infrared spectral range. The cyanine compounds of Formula I are presented: wherein Q is a portion of a polymethine bridge selected from the group consisting of: Also included are bioconjugates of the compounds of Formula I, methods of labeling biomolecules with the compounds, and methods of imaging.

  公开了在近红外光谱范围内进行非侵入性成像的化合物和方法。提供了公式I的青菁化合物：其中Q是从以下组中选择的多甲基桥的一部分：还包括公式I化合物的生物共轭物，用化合物标记生物分子的方法和成像方法。
• APPLICATION OF REDUCED DYES IN IMAGING
  申请人：LI-COR, Inc.

  公开号：US20170130050A1

  公开（公告）日：2017-05-11

  The present invention provides novel compounds and methods for hydrocyanines derived from near-infrared cyanine dyes, as reactive oxygen species probes in imaging. In certain embodiments, the present invention provides reduced dyes as substrates for ELISA and Western blots.
• US8927719B2
  申请人：——

  公开号：US8927719B2

  公开（公告）日：2015-01-06