N'1-(5-azido-2-nitrobenzoyl)-N'23-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-3,6,9,12,15,18,21-heptaoxatricosanedihydrazide | 1254044-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N'1-(5-azido-2-nitrobenzoyl)-N'23-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-3,6,9,12,15,18,21-heptaoxatricosanedihydrazide
• CAS: 1254044-56-8
• 化学式: C₃₅H₅₆N₈O₂₂
• 分子量: 940.87
• InChiKey: UXRAPXZITXRWOJ-KERPHUMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.34
• 重原子数：
  65.0
• 可旋转键数：
  31.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  425.14
• 氢给体数：
  11.0
• 氢受体数：
  24.0

反应信息

• 作为产物：
  描述：

  六甘醇 在 potassium tert-butylate 、 N,N-二异丙基乙胺 、 肼 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 104.5h， 生成 N'1-(5-azido-2-nitrobenzoyl)-N'23-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-3,6,9,12,15,18,21-heptaoxatricosanedihydrazide
  参考文献：
  名称：

  Bishydrazide Glycoconjugates for Lectin Recognition and Capture of Bacterial Pathogens

  摘要：

  Bishydrazides are versatile linkers for attaching glycans to substrates for lectin binding and pathogen detection schemes. The alpha,omega-bishydrazides of carboxymethylated hexa(ethylene glycol) (4) can be conjugated at one end to unprotected oligosaccharides, then attached onto carrier proteins, tethered onto activated carboxyl-terminated surfaces, or functionalized with a photoactive cross-linking agent for lithographic patterning. Glycoconjugates of bishydrazide 4 can also be converted into dithiocarbamates (DTCs) by treatment with CS2 under mild conditions, for attachment onto gold substrates. The immobilized glycans serve as recognition elements for cell-surface lectins and enable the detection and capture of bacterial pathogens such as Pseudomonas aeruginosa by their adsorption onto micropatterned substrates. A detection limit of 10(3) cfu/mL is demonstrated, using a recently introduced method based on optical pattern recognition.

  DOI：

  10.1021/bc100288c