[6-[[2-[[5-[[2-(2-acetamidopropanoylamino)-3-phenylpropanoyl]amino]-6-amino-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[5-[4-[(Z)-[[6-[2-[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]-3-hydroxyphenoxy]pentanoylamino]-6-oxohexyl]-trimethylazanium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [6-[[2-[[5-[[2-(2-acetamidopropanoylamino)-3-phenylpropanoyl]amino]-6-amino-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[5-[4-[(Z)-[[6-[2-[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]-3-hydroxyphenoxy]pentanoylamino]-6-oxohexyl]-trimethylazanium
• 化学式: C61H97N12O21+
• 分子量: 1334.5
• InChiKey: NIICRLRSYWIZRG-GDOUOMGFSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  94
• 可旋转键数：
  41
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  496
• 氢给体数：
  18
• 氢受体数：
  23

文献信息

• Method of producing conjugate vaccines
  申请人：Finn Nicholas

  公开号：US20080213297A1

  公开（公告）日：2008-09-04

  The present invention relates to a method of production of a hydrazide modified sugar comprising a step of reacting a sugar with a hydrazide in a reaction solvent at a pH of between 3 and 5.5, wherein the solvent comprises an aqueous based solvent and an optional polar organic co-solvent. A further aspect of the invention relates to a method of production of a polysaccharide epitope carrier protein conjugate comprising the steps of: (a) reacting a polysaccharide epitope with a hydrazide to form a hydrazide modified polysaccharide epitope; (b) reacting the hydrazide modified polysaccharide epitope with a linker that has been pre-coupled to a carrier protein. Another aspect of the invention relates to a method of production of a sugar-dihydrazide-aldehyde adduct comprising the steps of: (a) producing a hydrazide modified sugar using a method according to the invention, wherein the hydrazide modified sugar includes a further unreacted hydrazide moiety; and (b) reacting the further hydrazide moiety with the aldehyde functionality of a linker group.

  本发明涉及一种生产含有肼改性糖的方法，包括在反应溶剂中将糖与肼在pH值在3至5.5之间反应的步骤，其中溶剂包括水基溶剂和可选的极性有机共溶剂。该发明的另一个方面涉及一种生产多糖表位载体蛋白共轭物的方法，包括以下步骤：(a)将多糖表位与肼反应，形成肼改性多糖表位；(b)将肼改性多糖表位与预先偶联到载体蛋白上的连接剂反应。该发明的另一个方面涉及一种生产糖-二肼-醛加合物的方法，包括以下步骤：(a)使用根据本发明的方法生产肼改性糖，其中肼改性糖包括进一步未反应的肼基团；(b)将进一步的肼基团与连接剂基团的醛功能基团反应。