| 182358-71-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 182358-71-0
• 化学式: C₃₂H₅₂N₄O₁₄S₄
• 分子量: 845.047
• InChiKey: QBBYPGMSBOEXEQ-WUCKFCSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.07
• 重原子数：
  54.0
• 可旋转键数：
  21.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  273.18
• 氢给体数：
  12.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 作用下， 反应 1.5h， 以93%的产率得到
  参考文献：
  名称：

  Synthesis of divalent α-D-mannopyranosylated clusters having enhanced binding affinities towards concanavalin A and pea lectins

  摘要：

  Two different alpha-D-mannopyranosides having aminated heteroaliphatic (2) and p-isothiocyanatophenylated (10) aglycones were prepared and used as key precursors for the conjugation to a 3,5-diaminobenzoic acid core (3) using thiourea and amide coupling chemistry. The resulting divalent mannopyranoside clusters 6, 7, and 12 were shown to inhibit binding of Concanavalin A and pea lectins to yeast mannan more efficiently than their corresponding monosaccharide derivatives. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00312-5
• 作为产物：
  描述：

  3,5-二氨基苯甲酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 1.25h， 生成
  参考文献：
  名称：

  Synthesis of divalent α-D-mannopyranosylated clusters having enhanced binding affinities towards concanavalin A and pea lectins

  摘要：

  Two different alpha-D-mannopyranosides having aminated heteroaliphatic (2) and p-isothiocyanatophenylated (10) aglycones were prepared and used as key precursors for the conjugation to a 3,5-diaminobenzoic acid core (3) using thiourea and amide coupling chemistry. The resulting divalent mannopyranoside clusters 6, 7, and 12 were shown to inhibit binding of Concanavalin A and pea lectins to yeast mannan more efficiently than their corresponding monosaccharide derivatives. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00312-5