| 246855-92-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 246855-92-5
• 化学式: C₃₀H₄₇NO₁₈
• 分子量: 709.699
• InChiKey: DBMNUMPEDIRMBW-PTSUIOLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.0
• 重原子数：
  49.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  307.01
• 氢给体数：
  12.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  尿苷 5’-二二氧磷基半乳糖二钠盐 、 在 苯磺酰胺 、 recombinant α1->3 galactosyltransferase 、 锰 作用下， 以 various solvent(s) 为溶剂， 反应 48.0h， 以61%的产率得到6-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexanamide
  参考文献：
  名称：

  Bacteria targeted by human natural antibodies using α-gal conjugated receptor-specific glycopolymers

  摘要：

  Synthesis of polymerizable beta-lactosyl, Gal alpha 1-->3Gal and alpha-mannosyl acrylamide derivatives with either a hydrophobic aromatic spacer or a hydrophilic biocompatible oligoethoxyl spacer was accomplished. Radical terpolymerizations of beta-lactosyl monomer, alpha-mannosyl monomer, and acrylamide were conducted in aqueous media with ammonium persulfate and N,N,N,N'-tetramethylethylenediamine as initiators. The resulting water soluble glycopolymers were further transformed efficiently by a recombinant alpha 1-->3 galactosyltransferase to afford mediators bearing Gal alpha 1-->3Gal termini as xenoactive antigens and alpha-mannosyl termini as specific ligands for bacterial cells. The binding of the resulting multivalent glycopolymer to bacteria was tested by its ability to inhibit agglutination of yeast to E. coli. The binding of human natural anti-Gal antibodies to the alpha-Gal containing glycopolymers and a monovalent alpha-Gal-Man glycoconjugate was demonstrated by an ELISA inhibition assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00099-1
• 作为产物：
  描述：

  methyl 6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexanoate 在 lithium hydroxide 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Bacteria targeted by human natural antibodies using α-gal conjugated receptor-specific glycopolymers

  摘要：

  Synthesis of polymerizable beta-lactosyl, Gal alpha 1-->3Gal and alpha-mannosyl acrylamide derivatives with either a hydrophobic aromatic spacer or a hydrophilic biocompatible oligoethoxyl spacer was accomplished. Radical terpolymerizations of beta-lactosyl monomer, alpha-mannosyl monomer, and acrylamide were conducted in aqueous media with ammonium persulfate and N,N,N,N'-tetramethylethylenediamine as initiators. The resulting water soluble glycopolymers were further transformed efficiently by a recombinant alpha 1-->3 galactosyltransferase to afford mediators bearing Gal alpha 1-->3Gal termini as xenoactive antigens and alpha-mannosyl termini as specific ligands for bacterial cells. The binding of the resulting multivalent glycopolymer to bacteria was tested by its ability to inhibit agglutination of yeast to E. coli. The binding of human natural anti-Gal antibodies to the alpha-Gal containing glycopolymers and a monovalent alpha-Gal-Man glycoconjugate was demonstrated by an ELISA inhibition assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00099-1