5-(12-(3-(3-(9H-carbazol-9-yl)propoxy)-5-(((tert-butoxycarbonyl)amino)methyl)benzamido)dodecanamido)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) | 839709-80-7

• 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: 5-(12-(3-(3-(9H-carbazol-9-yl)propoxy)-5-(((tert-butoxycarbonyl)amino)methyl)benzamido)dodecanamido)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)
• CAS: 839709-80-7
• 化学式: C₇₀H₈₀N₄O₁₂
• 分子量: 1169.42
• InChiKey: QXRFBKRTERIWQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.03
• 重原子数：
  86.0
• 可旋转键数：
  23.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  198.82
• 氢给体数：
  3.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  5-(12-(3-(3-(9H-carbazol-9-yl)propoxy)-5-(((tert-butoxycarbonyl)amino)methyl)benzamido)dodecanamido)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 5-{12-[3-(tert-Butoxycarbonylamino-methyl)-5-(3-carbazol-9-yl-propoxy)-benzoylamino]-dodecanoylamino}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid
  参考文献：
  名称：

  Molecular Tripods Showing Fluorescence Enhancement upon Binding to Streptavidin

  摘要：

  We introduce a new approach to biotin-streptavidin assays based on a molecular tripod which consists of biotin, a fluorophore, and a quencher. The interaction between streptavidin and molecular tripods perturbs the ground-state quencher-fluorophore dimeric conformation in the absence of streptavidin and diminishes the intrinsic self-quenching of a quencher-fluorophore pair. The emission intensity of the molecular tripods plus streptavidin is 3.5-5.2 times that of molecular tripods in the absence of streptavidin.

  DOI：

  10.1021/ol047801h
• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 palladium on activated charcoal sodium hydroxide 、 lithium aluminium tetrahydride 、 sodium azide 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 potassium carbonate 、 1-羟基苯并三唑一水物 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 、 乙腈 为溶剂， 生成 5-(12-(3-(3-(9H-carbazol-9-yl)propoxy)-5-(((tert-butoxycarbonyl)amino)methyl)benzamido)dodecanamido)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)
  参考文献：
  名称：

  Molecular Tripods Showing Fluorescence Enhancement upon Binding to Streptavidin

  摘要：

  We introduce a new approach to biotin-streptavidin assays based on a molecular tripod which consists of biotin, a fluorophore, and a quencher. The interaction between streptavidin and molecular tripods perturbs the ground-state quencher-fluorophore dimeric conformation in the absence of streptavidin and diminishes the intrinsic self-quenching of a quencher-fluorophore pair. The emission intensity of the molecular tripods plus streptavidin is 3.5-5.2 times that of molecular tripods in the absence of streptavidin.

  DOI：

  10.1021/ol047801h