2-{5-[(2-{[bis-(2-ethylsulfanylethyl)amino]methyl}phenylamino)methyl]-2-chloro-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-{5-[(2-{[bis-(2-ethylsulfanylethyl)amino]methyl}phenylamino)methyl]-2-chloro-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid
• 英文别名: 2-[5-[[2-[[Bis(2-ethylsulfanylethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid；2-[5-[[2-[[bis(2-ethylsulfanylethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid
• 化学式: C₃₆H₃₇ClN₂O₅S₂
• 分子量: 677.285
• InChiKey: IOKNQIYJNLSKQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  46
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  荧光素 以 sodium hydroxide 为溶剂， 生成 2-{5-[(2-{[bis-(2-ethylsulfanylethyl)amino]methyl}phenylamino)methyl]-2-chloro-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid
  参考文献：
  名称：

  Fluorescein-based metal sensors

  摘要：

  本发明部分涉及基于荧光素的配体，用于检测金属离子，并制备和使用这些配体的方法。

  公开号：

  US07615377B2

文献信息

• A “Turn-On” Fluorescent Sensor for the Selective Detection of Mercuric Ion in Aqueous Media
  作者：Elizabeth M. Nolan、Stephen J. Lippard

  DOI：10.1021/ja037995g

  日期：2003.11.1

  A water-soluble turn-on fluorescent sensor for Hg(II) is described. Incorporation of soft thioether donors into an aniline-derived ligand framework that can be linked to a fluorescein platform affords sensor MS1, which shows a approximately 5-fold increase in integrated emission upon addition of 1 equiv of Hg(II). The synthesis and metal-binding properties of MS1 are discussed, and its ability to detect environmentally relevant concentrations of Hg(II) is demonstrated.
• Fluorescein-based metal sensors, and methods of making and using the same
  申请人：Lippard J. Stephen

  公开号：US20050112769A1

  公开（公告）日：2005-05-26

  The present invention is directed, in part, to fluorescein-based ligands for detection of metal ions, and methods of making and using the same.
• US7615377B2
  申请人：——

  公开号：US7615377B2

  公开（公告）日：2009-11-10