| 1202257-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• CAS: 1202257-83-7
• 化学式: C₈₉H₁₅₄N₁₀O₂₄S
• 分子量: 1780.32
• InChiKey: LRZPYGZUJRBDLU-VEEHHWSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.92
• 重原子数：
  124.0
• 可旋转键数：
  38.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  397.89
• 氢给体数：
  3.0
• 氢受体数：
  28.0

反应信息

• 作为反应物：
  描述：

  在 三异丙基硅烷 、 水 、 1,2-乙二硫醇 、 三氟乙酸 、 苯酚 作用下， 反应 5.0h， 以86%的产率得到D-biotin-tris-NTA
  参考文献：
  名称：

  Identifying Modulators of Protein−Protein Interactions Using Photonic Crystal Biosensors

  摘要：

  Inhibitors and activators of protein-protein interactions are valuable as biological probes and medicinal agents but are often difficult to identify. Herein we describe a high-throughput assay, based upon photonic crystal (PC) biosensors, for the identification of modulators of protein-protein interactions. Through the use of a D-biotin-tris-NTA (BTN) hybrid compound, any His6-tagged protein can be immobilized on the surface of a PC biosensor. Binding of the bound protein to its cognate partner is detected via a shift in the peak wavelength value. We demonstrate this assay with three protein-protein pairs (caspase-9-XIAP, caspase-7-XIAP, FKBP12-FRB) and their small molecule modulators.

  DOI：

  10.1021/ja907066r
• 作为产物：
  描述：

  hexa-tert-butyl 2,2',2'',2''',2'''',2'''''-(((2S,2'S,2''S)-(11-(6-aminohexanoyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-triyl)tris(1-(tert-butoxy)-1,5-dioxopentane-5,2-diyl))tris(azanetriyl))hexaacetate 、 D-生物素 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.33h， 以78%的产率得到
  参考文献：
  名称：

  Identifying Modulators of Protein−Protein Interactions Using Photonic Crystal Biosensors

  摘要：

  Inhibitors and activators of protein-protein interactions are valuable as biological probes and medicinal agents but are often difficult to identify. Herein we describe a high-throughput assay, based upon photonic crystal (PC) biosensors, for the identification of modulators of protein-protein interactions. Through the use of a D-biotin-tris-NTA (BTN) hybrid compound, any His6-tagged protein can be immobilized on the surface of a PC biosensor. Binding of the bound protein to its cognate partner is detected via a shift in the peak wavelength value. We demonstrate this assay with three protein-protein pairs (caspase-9-XIAP, caspase-7-XIAP, FKBP12-FRB) and their small molecule modulators.

  DOI：

  10.1021/ja907066r