2-(4-Methoxy-phenyl)-4-methyl-1H-benzoimidazole

• 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: 2-(4-Methoxy-phenyl)-4-methyl-1H-benzoimidazole
• 英文别名: 2-(4-methoxyphenyl)-4-methyl-1H-benzimidazole
• 化学式: C₁₅H₁₄N₂O
• mdl: MFCD11732394
• 分子量: 238.289
• InChiKey: HYXHMHWPHUMEJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 2,3-二氨基甲苯 在 sodium meta bi sulfate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 130.0 ℃ 、101.33 kPa 条件下， 生成 2-(4-Methoxy-phenyl)-4-methyl-1H-benzoimidazole
  参考文献：
  名称：

  Synthesis, α-glucosidase inhibitory, cytotoxicity and docking studies of 2-aryl-7-methylbenzimidazoles

  摘要：

  Benzimidazole analogs 1-27 were synthesized, characterized by EI-MS and H-1 NMR and their alpha-glucosidase inhibitory activities were found out experimentally. Compound 25, 19, 10 and 20 have best inhibitory activities with IC50 values 5.30 +/- 0.10, 16.10 +/- 0.10, 25.36 +/- 0.14 and 29.75 +/- 0.19 respectively against alpha-glucosidase. Compound 6 and 12 has no inhibitory activity against alpha-glucosidase enzyme among the series. Further studies showed that the compounds are not showing any cytotoxicity effect. The docking studies of the compounds as well as the experimental activities of the compounds correlated well. From the molecular docking studies, it was observed that the top ranked conformation of all the compounds fit well in the active site of the homology model of alpha-glucosidase. (C) 2016 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2016.02.004

文献信息

• Farnesoid X Receptor Agonists
  申请人：Deaton David Norman

  公开号：US20100249179A1

  公开（公告）日：2010-09-30

  The present invention provides novel isoxazole compounds, pharmaceutical compositions, therapeutic uses and processes for preparing the same.

  本发明提供了新型异噁唑化合物、制药组合物、治疗用途和制备方法。
• [EN] COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS<br/>[FR] PREPARATION POUR LA DESHYDROHALOGENATION EN PHASE VAPEUR DE 1,1,2-TRIHALOGENOETHANE EN 1,1-DIHALOGENOETHYLENE ET PROCEDES D'ELABORATION ET D'EMPLOI DE TELLES PREPARATIONS
  申请人：PPG IND OHIO INC

  公开号：WO2006132625A1

  公开（公告）日：2006-12-14

  [EN] Described are compositions adapted to catalyze the vapor phase dehydrohalogenation of 1,1,2-trihaloethane to 1,1-dihaloethylene, e.g., 1,1,2-trichloroethane to vinylidene chloride. These materials include activated carbon and at least one benzimidazole-containing material defined herein as including benzimidazole, a derivative thereof, a salt thereof or mixtures thereof. Also described are methods for producing and using these catalytic compositions.
  [FR] La présente invention concerne des préparations adaptées à la catalyse de la déshydrohalogénation en phase vapeur de 1,1,2-trihalogénoéthane en 1,1-dihalogénoéthylène, par exemple de 1,1,2-trichloroéthane en chlorure de vinylidène. Ces matériaux incluent du charbon actif et au moins un matériau contenant du benzimidazole, défini dans la présente invention comme incluant le benzimidazole, un dérivé de benzimidazole, un sel de benzimidazole ou des mélanges de ces substances. La présente invention concerne également des procédés d'élaboration et d'emploi de telles préparations catalytiques.
• Synthesis, α-glucosidase inhibitory, cytotoxicity and docking studies of 2-aryl-7-methylbenzimidazoles
  作者：Muhammad Taha、Nor Hadiani Ismail、Syahrul Imran、Muhammad Helmi Mohamad、Abdul Wadood、Fazal Rahim、Syed Muhammad Saad、Ashfaq ur Rehman、Khalid Mohammed Khan

  DOI：10.1016/j.bioorg.2016.02.004

  日期：2016.4

  Benzimidazole analogs 1-27 were synthesized, characterized by EI-MS and H-1 NMR and their alpha-glucosidase inhibitory activities were found out experimentally. Compound 25, 19, 10 and 20 have best inhibitory activities with IC50 values 5.30 +/- 0.10, 16.10 +/- 0.10, 25.36 +/- 0.14 and 29.75 +/- 0.19 respectively against alpha-glucosidase. Compound 6 and 12 has no inhibitory activity against alpha-glucosidase enzyme among the series. Further studies showed that the compounds are not showing any cytotoxicity effect. The docking studies of the compounds as well as the experimental activities of the compounds correlated well. From the molecular docking studies, it was observed that the top ranked conformation of all the compounds fit well in the active site of the homology model of alpha-glucosidase. (C) 2016 Elsevier Inc. All rights reserved.