2-benzyl-5-hydroxypyridin-4(1H)-one | 1194473-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-benzyl-5-hydroxypyridin-4(1H)-one
• 英文别名: 2-benzyl-5-hydroxy-1H-pyridin-4-one
• CAS: 1194473-23-8
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: JGOOWKFFSLFTFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 5% Pd(II)/C(eggshell) 、 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以115 mg的产率得到2-benzyl-5-hydroxypyridin-4(1H)-one
  参考文献：
  名称：

  Coordination Chemistry Based Approach to Lipophilic Inhibitors of 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase

  摘要：

  1-Deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) in the non-mevalonate pathway found in most bacteria is a validated anti-infective drug target. Fosmidomycin, a potent DXR inhibitor, is active against Gram-negative bacteria. A coordination chemistry and structure based approach was used to discover a novel, lipophilic DXR inhibitor with an IC50 of 1.4 mu M. It exhibited a broad spectrum of activity against Gram-negative and -positive bacteria with minimal inhibition concentrations of 20-100 mu M (or 3.7-19 mu g/mL).

  DOI：

  10.1021/jm9012592

文献信息

• [EN] NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY<br/>[FR] NOUVEAUX INHIBITEURS DE DXR POUR THÉRAPIE ANTIMICROBIENNE
  申请人：BAYLOR COLLEGE MEDICINE

  公开号：WO2011046920A1

  公开（公告）日：2011-04-21

  The present invention generally concerns particular methods and compositions for antimicrobial therapy. In particuarl embodiments, the compositions target DXR. In specific embodiments, the compositions are electron-deficient heterocyclic rings.

  本发明一般涉及特定的抗微生物治疗方法和组合物。在特定实施例中，这些组合物以DXR为靶点。在具体实施例中，这些组合物是电子亏缺的杂环环。
• NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY
  申请人：Song Yongcheng

  公开号：US20130065857A1

  公开（公告）日：2013-03-14

  The present invention generally concerns particular methods and compositions for antimicrobial therapy. In particular embodiments, the compositions target DXR. In specific embodiments, the compositions are electron-deficient heterocyclic rings.

  本发明通常涉及特定的抗微生物治疗方法和组合物。在特定实施例中，该组合物针对DXR。在具体实施例中，该组合物是电子不足的杂环环。
• SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES
  申请人：Song Yongcheng

  公开号：US20120329842A1

  公开（公告）日：2012-12-27

  The present invention concerns methods and/or compositions for treatment and/or prevention of bacterial infection wherein the bacteria has at least one metallo-β-lactamase. The bacteria are provided with an inhibitor of the metallo-β-lactamase, for example in conjunction with an antibiotic that targets the bacteria. The bacteria may be a drug-resistant strain or susceptible to becoming a drug-resistant strain. In specific embodiments, the bacteria is Pseudomonas or Acinetobacter spp.
• [EN] SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES<br/>[FR] COMPOSÉS À PETITES MOLÉCULES COMME INHIBITEURS À LARGE SPECTRE DE MÉTALLO-BÊTA-LACTAMASES
  申请人：BAYLOR COLLEGE MEDICINE

  公开号：WO2012088283A1

  公开（公告）日：2012-06-28

  The present invention concerns methods and/or compositions for treatment and/or prevention of bacterial infection wherein the bacteria has at least one metallo-P-lactamase. The bacteria are provided with an inhibitor of the metallo-P-lactamase, for example in conjunction with an antibiotic that targets the bacteria. The bacteria may be a drug-resistant strain or susceptible to becoming a drug-resistant strain. In specific embodiments, the bacteria is Pseudomonas or Acinetobacter spp.