(E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N'-(pyridin-3-ylmethylene)benzohydrazide

• 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: (E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N'-(pyridin-3-ylmethylene)benzohydrazide
• 英文别名: (E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N'-(pyridin-3-ylmethylene) benzohydrazide (23)；4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
• 化学式: C₂₂H₁₉N₅O
• 分子量: 369.426
• InChiKey: IMYTWQQDXRNIBJ-ZMOGYAJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4，5-二甲基-1，2-苯二胺 在 sodium metabisulfite 、 一水合肼 、 溶剂黄146 作用下， 以 甲醇 、 水 、 正丁醇 为溶剂， 反应 21.0h， 生成 (E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N'-(pyridin-3-ylmethylene)benzohydrazide
  参考文献：
  名称：

  Benzimidazole derivatives as new α-glucosidase inhibitors and in silico studies

  摘要：

  Newly synthesized benzimidazole hydrazone derivatives 1-26 were evaluated for their a-glucosidase inhibitory activity. Compounds 1-26 exhibited varying degrees of yeast a-glucosidase inhibitory activity with IC50 values between 8.40 +/- 0.76 and 179.71 +/- 1.11 mu M when compared with standard acarbose. In this assay, seven compounds that showed highest inhibitory effects than the rest of benzimidazole series were identified. All the synthesized compounds were characterized by different spectroscopic methods adequately. We further evaluated the interaction of the active compounds with enzyme with the help of docking studies. (C) 2015 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2015.11.006

文献信息

• Benzimidazole derivatives as new α-glucosidase inhibitors and in silico studies
  作者：Nik Khairunissa Nik Abdullah Zawawi、Muhammad Taha、Norizan Ahmat、Abdul Wadood、Nor Hadiani Ismail、Fazal Rahim、Syed Sikander Azam、Noraishah Abdullah

  DOI：10.1016/j.bioorg.2015.11.006

  日期：2016.2

  Newly synthesized benzimidazole hydrazone derivatives 1-26 were evaluated for their a-glucosidase inhibitory activity. Compounds 1-26 exhibited varying degrees of yeast a-glucosidase inhibitory activity with IC50 values between 8.40 +/- 0.76 and 179.71 +/- 1.11 mu M when compared with standard acarbose. In this assay, seven compounds that showed highest inhibitory effects than the rest of benzimidazole series were identified. All the synthesized compounds were characterized by different spectroscopic methods adequately. We further evaluated the interaction of the active compounds with enzyme with the help of docking studies. (C) 2015 Elsevier Inc. All rights reserved.