3-[2-[(E)-2-[4-hydroxy-3,5-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate | 1400863-38-8

• 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: 3-[2-[(E)-2-[4-hydroxy-3,5-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate
• CAS: 1400863-38-8
• 化学式: C₃₇H₃₉N₃O₄S
• 分子量: 621.8
• InChiKey: UMMRHUWPPVZARP-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  90.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• ACTIVATABLE FLUOROGENIC COMPOUNDS AND USES THEREOF AS NEAR INFRARED PROBES
  申请人：Ramot at Tel-Aviv University Ltd.

  公开号：US20160229840A1

  公开（公告）日：2016-08-11

  Novel fluorogenic compounds designed such that upon a chemical event, compounds capable of emitting NIR light are generated, are disclosed. The compounds comprise two or more acceptor-containing moieties and a cleavable donor-containing moiety, being in complete pi-electrons conjugation and being such that no delocalization of pi-electrons is enabled. Also disclosed are fluorescent compounds generated upon subjecting the fluorogenic compounds to a chemical event (e.g., deprotonation). Also disclosed are uses of the fluorogenic compounds as NIR probed with a Turn-ON mechanism in monitoring presence and/or level of various analytes.

  本发明揭示了一种设计的新型荧光化合物，使得在化学事件发生时，能够发射近红外光的化合物被生成。这些化合物包括两个或更多的含有受体的基团和一个可剪切的含有给体的基团，完全处于π电子共轭状态，并且没有π电子的共轭扩散。本发明还揭示了在将荧光化合物置于化学事件（例如去质子化）中后生成的荧光化合物。本发明还揭示了将荧光化合物用作近红外探针的Turn-ON机制，以监测各种分析物的存在和/或水平。