1-(5-carboxy-pentyl)-4-[(E)-2-(7-diethylamino-2-oxo-2H-chromen-3-yl)-vinyl]-pyridinium Bromide | 540528-03-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 1-(5-carboxy-pentyl)-4-[(E)-2-(7-diethylamino-2-oxo-2H-chromen-3-yl)-vinyl]-pyridinium Bromide
• 英文别名: 6-[4-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]pyridin-1-ium-1-yl]hexanoic acid;bromide
• CAS: 540528-03-8
• 化学式: Br*C₂₆H₃₁N₂O₄
• 分子量: 515.447
• InChiKey: OMWCTYNPMHPHBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2H-1-苯并吡喃-3-羧醛, 7-(二乙基氨基)-2-氧代- 、 1-(5-carboxypentyl)-4-methylpyridinium bromide 以 toluene ethanol 为溶剂， 生成 1-(5-carboxy-pentyl)-4-[(E)-2-(7-diethylamino-2-oxo-2H-chromen-3-yl)-vinyl]-pyridinium Bromide
  参考文献：
  名称：

  Compounds based on polymethines

  摘要：

  本发明涉及基于聚甲烯基的荧光染料（荧光团）的使用，用于光学测量和检测程序，特别是那些使用荧光的程序，例如在医学、药理学以及生物、材料和环境科学中。其目标是创建基于聚甲烯基的荧光团，具有大的Stokes位移、高的光稳定性、长的储存寿命和高的荧光量子产率，并且可以通过白光源或紫外、可见或近红外光谱区的激光辐射以最简单的方式激发。根据本发明，采用具有一般式I、II或III的聚甲烯基染料。

  公开号：

  US07563907B2

文献信息

• Compound, especially marker-dye on the basis of polymethines
  申请人：Dyomics GmbH

  公开号：US20040260093A1

  公开（公告）日：2004-12-23

  The invention relates to fluorescent dyes (fluorophores) based on polymethines for use in optical measurement and detection procedures, in particular those employing fluorescence, for example in medicine, in pharmacology and in the biological, materials and environmental sciences. The objective was to create fluorophores based on polymethines that have a large Stokes shift, high photostability, long storage life and a high fluorescent quantum yield, and that can be excited in the simplest possible manner by white-light sources or laser radiation in the UV, visible or NIR spectral region. According to the invention dyes on the basis of polymethines having the general formulas I, II or III 1 are employed.

  本发明涉及基于聚甲烯蓝的荧光染料（荧光团）用于光学测量和检测程序，特别是那些使用荧光的程序，例如在医学、药理学和生物、材料和环境科学中。其目的是创建基于聚甲烯蓝的荧光团，具有大的斯托克斯位移、高光稳定性、长期储存寿命和高荧光量子产率，可以通过白光源或紫外、可见或近红外光激发。根据本发明，基于聚甲烯蓝的染料具有I、II或III1通用公式。
• Compound, especially marker-dye, on the basis of polymethines
  申请人：Dyomics GmbH

  公开号：US20030165942A1

  公开（公告）日：2003-09-04

  The invention relates to fluorescent dyes (fluorophores) based on polymethines for use in optical measurement and detection procedures, in particular those employing fluorescence, for example in medicine, in pharmacology and in the biological, materials and environmental sciences. The objective was to create fluorophores based on polymethines that have a large Stokes shift, high photostability, long storage life and a high fluorescent quantum yield, and that can be excited in the simplest possible manner by white-light sources or laser radiation in the UV, visible or NIR spectral region. According to the invention dyes on the basis of polymethines having the general formulas I, II and III 1 are employed.

  本发明涉及基于聚甲烯的荧光染料（荧光物质）的使用，用于光学测量和检测程序，特别是那些使用荧光的程序，例如在医学、药理学以及生物、材料和环境科学中。本发明的目的是创建基于聚甲烯的荧光物质，具有大的Stokes位移、高光稳定性、长期存储寿命和高荧光量子产率，并且可以通过白光源或紫外、可见或近红外光谱区的激光辐射以最简单的方式激发。根据本发明，采用具有一般式I、II和III1的聚甲烯基染料。
• Verbindung, insbesondere Marker-Farbstoff, auf der Basis von Polymethinen
  申请人：Dyomics GmbH

  公开号：EP1318177B1

  公开（公告）日：2004-09-22
• US7563907B2
  申请人：——

  公开号：US7563907B2

  公开（公告）日：2009-07-21
• Compounds based on polymethines
  申请人：Dyomics GmBH

  公开号：US07563907B2

  公开（公告）日：2009-07-21

  The invention relates to fluorescent dyes (fluorophores) based on polymethines for use in optical measurement and detection procedures, in particular those employing fluorescence, for example in medicine, in pharmacology and in the biological, materials and environmental sciences. The objective was to create fluorophores based on polymethines that have a large Stokes shift, high photostability, long storage life and a high fluorescent quantum yield, and that can be excited in the simplest possible manner by white-light sources or laser radiation in the UV, visible or NIR spectral region. According to the invention dyes on the basis of polymethines having the general formulas I, II or III are employed.

  本发明涉及基于聚甲烯基的荧光染料（荧光团）的使用，用于光学测量和检测程序，特别是那些使用荧光的程序，例如在医学、药理学以及生物、材料和环境科学中。其目标是创建基于聚甲烯基的荧光团，具有大的Stokes位移、高的光稳定性、长的储存寿命和高的荧光量子产率，并且可以通过白光源或紫外、可见或近红外光谱区的激光辐射以最简单的方式激发。根据本发明，采用具有一般式I、II或III的聚甲烯基染料。