(1R,2S,3R)-2-(1,2,3,4-tetrahydroxybutyl)-1H-6-chlorobenzimidazole | 1609208-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (1R,2S,3R)-2-(1,2,3,4-tetrahydroxybutyl)-1H-6-chlorobenzimidazole
• 英文别名: (1R,2S,3R)-1-(6-chloro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
• CAS: 1609208-14-1
• 化学式: C₁₁H₁₃ClN₂O₄
• 分子量: 272.688
• InChiKey: BKHRWVDCLSMCCN-BBBLOLIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  110
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  阿拉伯糖 、 4-氯-1,2-苯二胺 在 碘 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 3.0h， 以97%的产率得到(1R,2S,3R)-2-(1,2,3,4-tetrahydroxybutyl)-1H-6-chlorobenzimidazole
  参考文献：
  名称：

  Yadav, Tej Bahadur; Singh, Virendra, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 12, p. 1536 - 1539

  摘要：

  DOI：

文献信息

• COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS
  申请人：ACADEMIA SINICA

  公开号：US20150168415A1

  公开（公告）日：2015-06-18

  Provided is an isotope-labelled compound having a general formula IIa′, S-Y′-BIM, wherein S is a sugar moiety, Y′ is an isotope-containing sensor moiety and BIM is a benzimidazole. The compound may be used as an agent for saccharide analysis by magnetic resonance spectroscopy (NMR). A new glycan sequencing method and a glycoprotein synthesis method by using these compounds are also provided.

  提供的是具有一般公式IIa′，S-Y′-BIM的同位素标记化合物，其中S是糖基团，Y′是含同位素的传感器基团，BIM是苯并咪唑。该化合物可用作磁共振波谱（NMR）中的糖分析试剂。还提供了一种利用这些化合物的新糖基序列方法和糖蛋白合成方法。
• COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS, AND METHOD FOR QUANTITATING SACCHARIDE
  申请人：ACADEMIA SINICA

  公开号：US20170299530A1

  公开（公告）日：2017-10-19

  Provided is a method for quantitating a saccharide in a liquid sample. The method comprises incubating the liquid sample with 2,3-naphthalenediamine in the presence of iodine to allow a naphthimidazole group to be linked to the saccharide to obtain a first mixture; obtaining an 1 H-NMR spectrum of the first mixture; and comparing, in said 1 H-NMR spectrum, the intensity or integral of a proton signal corresponding to the saccharide to the intensity or integral of a proton signal corresponding to an internal standard present in the first mixture.
• Yadav, Tej Bahadur; Singh, Virendra, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 12, p. 1536 - 1539
  作者：Yadav, Tej Bahadur、Singh, Virendra

  DOI：——

  日期：——