3,3'-((2-(2-aminoacetamido)propane-1,3-diyl)bis(oxy))bis(N-(14-((2,4-dinitrophenyl)amino)-3,6,9,12-tetraoxatetradecyl)propanamide) | 951671-95-7

• 分子结构分类: 有机化合物
• 英文名称: 3,3'-((2-(2-aminoacetamido)propane-1,3-diyl)bis(oxy))bis(N-(14-((2,4-dinitrophenyl)amino)-3,6,9,12-tetraoxatetradecyl)propanamide)
• CAS: 951671-95-7
• 化学式: C₄₃H₆₈N₁₀O₂₁
• 分子量: 1061.07
• InChiKey: KBUOOHKAMOCHKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  74.0
• 可旋转键数：
  48.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  402.24
• 氢给体数：
  6.0
• 氢受体数：
  24.0

反应信息

• 作为反应物：
  描述：

  3,3'-((2-(2-aminoacetamido)propane-1,3-diyl)bis(oxy))bis(N-(14-((2,4-dinitrophenyl)amino)-3,6,9,12-tetraoxatetradecyl)propanamide) 、 5-carboxyfluorescein N-hydroxysuccinimide ester 在 4-二甲氨基吡啶 作用下， 以 四氢呋喃 为溶剂， 以52%的产率得到5-[[2-[1,3-Bis[3-[2-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-2-oxoethyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
  参考文献：
  名称：

  Trivalent Antigens for Degranulation of Mast Cells

  摘要：

  Degranulation of basophils and mast cells plays a central role in allergic reactions. Degranulation is a response to cell surface receptor aggregation caused by association of receptors with antibodies bound to multivalent antigens. Tools used in studying this process have included small-molecule divalent antigens, but they suffer from weak signaling apparently due to small aggregate size. We have prepared trivalent antigens that allow formation of larger aggregates and potent responses from mast cells.

  DOI：

  10.1021/ol071175h
• 作为产物：
  描述：

  在 哌啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3,3'-((2-(2-aminoacetamido)propane-1,3-diyl)bis(oxy))bis(N-(14-((2,4-dinitrophenyl)amino)-3,6,9,12-tetraoxatetradecyl)propanamide)
  参考文献：
  名称：

  Trivalent Antigens for Degranulation of Mast Cells

  摘要：

  Degranulation of basophils and mast cells plays a central role in allergic reactions. Degranulation is a response to cell surface receptor aggregation caused by association of receptors with antibodies bound to multivalent antigens. Tools used in studying this process have included small-molecule divalent antigens, but they suffer from weak signaling apparently due to small aggregate size. We have prepared trivalent antigens that allow formation of larger aggregates and potent responses from mast cells.

  DOI：

  10.1021/ol071175h