(1R,2R,3R,4R)-1-(5-chloro-1H-benzo[d]imidazole-2-yl)pentane-1,2,3,4,5-pentaol

• 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,2R,3R,4R)-1-(5-chloro-1H-benzo[d]imidazole-2-yl)pentane-1,2,3,4,5-pentaol
• 英文别名: (1R)-1-(5-chloro-1(3)H-benzimidazol-2-yl)-D-arabitol；(1R)-1-(5-Chlor-1(3)H-benzimidazol-2-yl)-D-arabit；(1R,2R,3R,4R)-1-(6-chloro-1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
• 化学式: C₁₂H₁₅ClN₂O₅
• 分子量: 302.714
• InChiKey: OTJUGWIBOBZMSV-ZNSHCXBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  130
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  L(-)-甘露糖 在 碘 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 生成 (1R,2R,3R,4R)-1-(5-chloro-1H-benzo[d]imidazole-2-yl)pentane-1,2,3,4,5-pentaol
  参考文献：
  名称：

  COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS

  摘要：

  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。

  公开号：

  US20150168415A1

文献信息

• 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：——
• Studies on Carcinolytic Compounds. VI. Substituted 2-(Aldo-Polyhydroxyalkyl)-benzimidazoles
  作者：Dorothea Heyl、Gladys Emerson、Marjorie M. Gasser、Edith C. Chase、Karl Folkers

  DOI：10.1021/ja01598a082

  日期：1956.9
• 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.
• 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。