2-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one | 1021529-09-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
• CAS: 1021529-09-8
• 化学式: C₂₃H₂₈N₂O₃
• 分子量: 380.487
• InChiKey: OOGYMCIFGCYJQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-苄基哌嗪 、 2-bromo-6,7-dimethoxy-1-tetralone 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 2-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
  参考文献：
  名称：

  2-Aminotetralones: Novel inhibitors of MurA and MurZ

  摘要：

  Several 2-aminotetralones were identified as novel inhibitors of the bacterial enzymes MurA and MurZ. A number of these inhibitors demonstrated antibacterial activity against Staphylococcus aureus and Escherichia coli with MICs in the range 8-128 mu g/ml. Based on structure-activity relationships we propose that the alpha-aminoketone functionality is responsible for the inhibitory activity and evidence is provided to support a covalent mode of action involving the C115 thiol group of MurA/MurZ. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.089

文献信息

• 2-Aminotetralones: Novel inhibitors of MurA and MurZ
  作者：Colin J. Dunsmore、Keith Miller、Katy L. Blake、Simon G. Patching、Peter J.F. Henderson、James A. Garnett、William J. Stubbings、Simon E.V. Phillips、Deborah J. Palestrant、Joseph De Los Angeles、Jennifer A. Leeds、Ian Chopra、Colin W.G. Fishwick

  DOI：10.1016/j.bmcl.2008.01.089

  日期：2008.3

  Several 2-aminotetralones were identified as novel inhibitors of the bacterial enzymes MurA and MurZ. A number of these inhibitors demonstrated antibacterial activity against Staphylococcus aureus and Escherichia coli with MICs in the range 8-128 mu g/ml. Based on structure-activity relationships we propose that the alpha-aminoketone functionality is responsible for the inhibitory activity and evidence is provided to support a covalent mode of action involving the C115 thiol group of MurA/MurZ. (C) 2008 Elsevier Ltd. All rights reserved.