2-[5-[1-[6-[(3'-Ethoxy-3-oxo-6'-phosphonooxyspiro[2-benzofuran-1,9'-xanthene]-4'-yl)methylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic 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-[1-[6-[(3'-Ethoxy-3-oxo-6'-phosphonooxyspiro[2-benzofuran-1,9'-xanthene]-4'-yl)methylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
• 英文别名: 2-[5-[1-[6-[(3'-ethoxy-3-oxo-6'-phosphonooxyspiro[2-benzofuran-1,9'-xanthene]-4'-yl)methylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
• 化学式: C56H59N3O15PS2+
• 分子量: 1109.2
• InChiKey: AJWBNCCJZWGCNL-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  77
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  274
• 氢给体数：
  5
• 氢受体数：
  17

文献信息

• FLUORESCENCE RESONANCE ENERGY TRANSFER ENZYME SUBSTRATES
  申请人：Kumar Shiv

  公开号：US20090162838A1

  公开（公告）日：2009-06-25

  Disclosed are compounds of formula (I) wherein D 1 is a first dye moiety whose fluorescence properties may be modulated so as to be suitable as a donor or an acceptor in an energy transfer arrangement; D 2 is a second dye moiety suitable as an acceptor or a donor in an energy transfer arrangement with said first dye; L is a linking group comprises 2-200 linked atoms, wherein said linking group optionally includes an enzyme cleavage site; and M is an enzyme cleavable group chosen to modulate the fluorescence properties of D 1 . The compounds of formula (I) may be used as reporter molecules for detecting biochemical cleavage events in assays that employ fluorescence resonance energy transfer.