1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol

• 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: 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol
• 英文别名: 1,2-Bis-(5-methyl-1H-benzoimidazol-2-yl)-ethane-1,2-diol；1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
• 化学式: C₁₈H₁₈N₄O₂
• 分子量: 322.367
• InChiKey: UVQBVNCTDLEOPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  97.8
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol 、 cadmium(II) bromide 以 乙醇 为溶剂， 以85%的产率得到[CdBr2(1,2-bis(2-(5-methyl)-1H-benzimidazolyl)-1,2-ethanediol)]
  参考文献：
  名称：

  Tavman, Aydin, Russian Journal of Inorganic Chemistry, 2005, vol. 50, # 9, p. 1341 - 1345

  摘要：

  DOI：
• 作为产物：
  描述：

  酒石酸 、 邻苯二胺 以 melt 为溶剂， 反应 2.0h， 以75%的产率得到1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol
  参考文献：
  名称：

  A Swift One-Pot Solvent-Free Synthesis of Benzimidazole Derivatives and Their Metal Complexes: Hydrothermal Treatment, Enzymatic Inhibition, and Solubilization Studies

  摘要：

  Three benzimidazole derivatives, 1-(1H-benzimidazol-2-yl)ethanol (HBE), 1H-benzimidazol-2-yl(diphenyl)methanol (BDM) and 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol (BHBED), have been synthesized following the one-pot rapid green protocol. Complexes of benzimidazole derivatives with six 3dtransition metals, Cu(II), Mn(II), Zn(II), Fe(II), Co(II), and Ni(II), have been synthesized by free hydrothermal method. The synthesized products have been characterized by FTIR,H-1, and(13)C NMR, and mass spectroscopy, and CHN analysis, and 2:1 ligand to metal stoichiometry has been confirmed. The synthesized ligands and metal complexes have been tested for antioxidant potential (DPPH), inhibitory activity including inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BChE), lipoxygenase (LOX), alpha-glucosidase. Micellar solubilization of the metal complexes has been studied in sodium dodecyl sulphate (SDS) by UV-Vis spectroscopy and conductivity. The selected complexes of nickel, zinc and cobalt have demonstrated interaction with SDS, and the value of critical micellar concentration increased in all cases.

  DOI：

  10.1134/s107036322008023x

文献信息

• 6-(Substituted)methylene-penicillanic and
  申请人：Pfizer Inc.

  公开号：US04826833A1

  公开（公告）日：1989-05-02

  Beta-lactamase inhibiting compounds of the formula ##STR1## or a pharmaceutically acceptable acid addition or carboxylate salt thereof; where n is zero, 1 or 2; X.sub.3 is H or Br, R.sup.1 is H, the residue of certain carboxy-protecting groups or the residue of an ester group readily hydrolyzable in vivo; one of R.sup.12 and R.sup.13 is H and the other is vinyl, certain aryl, alkylthio, alkylsulfonyl or certain heterocyclyl, aminomethyl, thiocarboxamido or amidino groups; one or R.sup.2 and R.sup.3 is H and the other is as disclosed for the other of R.sup.12 and R.sup.13, or is Cl or CH.sub.2 OH, and R.sup.18 is H or certain acyl groups; intermediates useful in their production, methods for their preparation and use, and pharmaceutical compositions containing them.

  β-内酰胺酶抑制化合物的结构式为##STR1##或其药学上可接受的酸加合物或羧酸盐；其中n为零、1或2；X.sub.3为H或Br，R.sup.1为H，某些羧基保护基的残基或在体内容易水解的酯基残基；R.sup.12和R.sup.13中的一个为H，另一个为乙烯基、某些芳基、烷基硫基、烷基磺酰基或某些杂环基、氨甲基、硫代羧酰胺基或胍基；R.sup.2和R.sup.3中的一个为H，另一个如R.sup.12和R.sup.13的另一个所披露的，或为Cl或CH.sub.2 OH，R.sup.18为H或某些酰基；在其生产中有用的中间体、其制备和使用的方法，以及含有它们的药物组合物。
• 6-(substituted)methylenepenicillanic and
  申请人：Pfizer Inc.

  公开号：US05015473A1

  公开（公告）日：1991-05-14

  Beta-lactamase inhibiting compounds of the formula ##STR1## or a pharmaceutically acceptable acid addition or carboxylate salt thereof; where n is zero, 1 or 2; X.sub.3 is H or Br, R.sup.1 is H, the residue of certain carboxy-protecting groups or the residue of an ester group readily hydrolyzable in vivo; one of R.sup.12 and R.sup.13 is H and the other is vinyl, certain aryl, alkylthio, alkylsulfonyl or certain heterocyclyl, aminomethyl, thiocarboxyamido or amidino groups; one of R.sup.2 and R.sup.3 is H and the other is as disclosed for the other of R.sup.12 and R.sup.13, or is Cl or CH.sub.2 OH, and R.sup.18 is H or certain acyl groups; intermediates useful in their production, methods for their preparation and use, and pharmaceutical compositions containing them.

  β-内酰胺酶抑制化合物的化学式为##STR1##或其药学上可接受的酸加合物或羧酸盐。其中n为0、1或2；X.sub.3为H或Br，R.sup.1为H，某些羧基保护基的残基或易于在体内水解的酯基的残基；R.sup.12和R.sup.13中的一个为H，另一个为乙烯基，某些芳基，烷基硫醇，烷基磺酰或某些杂环基，氨甲基，硫代羧酰胺或氨基甲酰基；R.sup.2和R.sup.3中的一个为H，另一个与R.sup.12和R.sup.13的另一个相同，或为Cl或CH.sub.2 OH，R.sup.18为H或某些酰基；它们生产的中间体，制备和使用方法以及含有它们的药物组成物。
• US4826833A
  申请人：——

  公开号：US4826833A

  公开（公告）日：1989-05-02
• US5015473A
  申请人：——

  公开号：US5015473A

  公开（公告）日：1991-05-14