Bz(-2)[Bz(-3)][Bu(-4)]6-deoxy-Hex(?1-3)[Bz(-2)][Bu(-4)][Bu(-6)]Hex1Me

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Bz(-2)[Bz(-3)][Bu(-4)]6-deoxy-Hex(?1-3)[Bz(-2)][Bu(-4)][Bu(-6)]Hex1Me
• 英文别名: [(2S,3S,5S)-3-benzoyloxy-2-[(3R,5S,6R)-5-benzoyloxy-3-butoxy-2-(butoxymethyl)-6-methoxyoxan-4-yl]oxy-5-butoxy-6-methyloxan-4-yl] benzoate
• 化学式: C₄₆H₆₀O₁₃
• 分子量: 821.0
• InChiKey: ZJRFBYJVCOSPIE-GXWDTHSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  59
• 可旋转键数：
  25
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  144
• 氢给体数：
  0
• 氢受体数：
  13

文献信息

• OLIGOSACCHARIDES AND OLIGOSACCHARIDE-PROTEIN CONJUGATES DERIVED FROM CLOSTRIDIUM DIFFICLE POLYSACCARIDE PS-I, METHODS OF SYNTHESIS AND USES THEREOF, IN PARTICULAR AS VACCINES AND DIAGNOSTIC TOOLS
  申请人：Seeberger Peter H.

  公开号：US20140193416A1

  公开（公告）日：2014-07-10

  The invention relates to a synthetic oligosaccharide representing part of the repeating unit of the Clostridium difficile glycopolymer PS-I and having the sequence of the pentasaccharide a-L-Rhap-(1→3)-β-D-Glcp-(1→4)-[a-L-Rhap-(1→3]-a-D-Glcp-(1→2)-a-D-Glcp or a synthetic fragment or derivative thereof. Preferably, the claimed synthetic oligosaccharide bears at least one linker L for conjugation to a carrier protein or for immobilization on a surface. Further aspects of the invention relate to advantageous methods for synthesizing said synthetic oligosaccharide and oligosaccharide-protein conjugate as well as to uses thereof, in particular as vaccines and diagnostic tools.

  本发明涉及一种合成寡糖，其代表Clostridium difficile糖聚合物PS-I重复单元的一部分，并具有五糖核苷酸序列a-L-Rhap-(1→3)-β-D-Glcp-(1→4)-[a-L-Rhap-(1→3]-a-D-Glcp-(1→2)-a-D-Glcp或其合成片段或衍生物。优选地，所述合成寡糖至少带有一种连接物L，用于与载体蛋白质结合或固定在表面上。本发明的其他方面涉及有利的方法，用于合成所述合成寡糖和寡糖-蛋白质结合物，以及其用途，特别是作为疫苗和诊断工具。