Ethyl 2-methyl-2-methylsulfonyl-5,7-dioxo-7-phenylheptanoate | 1414257-95-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 2-methyl-2-methylsulfonyl-5,7-dioxo-7-phenylheptanoate
• 英文别名: ethyl 2-methyl-2-methylsulfonyl-5,7-dioxo-7-phenylheptanoate
• CAS: 1414257-95-6
• 化学式: C₁₇H₂₂O₆S
• 分子量: 354.424
• InChiKey: CDDLPKUSTQYDME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 2-methyl-2-methylsulfonyl-5,7-dioxo-7-phenylheptanoate 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 ethyl 2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)butanoate
  参考文献：
  名称：

  Heterocyclic methylsulfone hydroxamic acid LpxC inhibitors as Gram-negative antibacterial agents

  摘要：

  The synthesis and antibacterial activity of heterocyclic methylsulfone hydroxamates is presented. Compounds in this series are potent inhibitors of the LpxC enzyme, a key enzyme involved in the production of lipopolysaccharide (LPS) found in the outer membrane of Gram-negative bacteria. SAR evaluation of compounds in this series revealed analogs with potent antibacterial activity against challenging Gram-negative species such as Pseudomonas aeruginosa and Klebsiella pneumoniae. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.058
• 作为产物：
  描述：

  、 苯乙酮 以 四氢呋喃 为溶剂， 生成 Ethyl 2-methyl-2-methylsulfonyl-5,7-dioxo-7-phenylheptanoate
  参考文献：
  名称：

  Heterocyclic methylsulfone hydroxamic acid LpxC inhibitors as Gram-negative antibacterial agents

  摘要：

  The synthesis and antibacterial activity of heterocyclic methylsulfone hydroxamates is presented. Compounds in this series are potent inhibitors of the LpxC enzyme, a key enzyme involved in the production of lipopolysaccharide (LPS) found in the outer membrane of Gram-negative bacteria. SAR evaluation of compounds in this series revealed analogs with potent antibacterial activity against challenging Gram-negative species such as Pseudomonas aeruginosa and Klebsiella pneumoniae. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.058

文献信息

• Heterocyclic methylsulfone hydroxamic acid LpxC inhibitors as Gram-negative antibacterial agents
  作者：Laura A. McAllister、Justin I. Montgomery、Joseph A. Abramite、Usa Reilly、Matthew F. Brown、Jinshan M. Chen、Rose A. Barham、Ye Che、Seung Won Chung、Carol A. Menard、Mark Mitton-Fry、Lisa M. Mullins、Mark C. Noe、John P. O’Donnell、Robert M. Oliver、Joseph B. Penzien、Mark Plummer、Loren M. Price、Veerabahu Shanmugasundaram、Andrew P. Tomaras、Daniel P. Uccello

  DOI：10.1016/j.bmcl.2012.09.058

  日期：2012.11

  The synthesis and antibacterial activity of heterocyclic methylsulfone hydroxamates is presented. Compounds in this series are potent inhibitors of the LpxC enzyme, a key enzyme involved in the production of lipopolysaccharide (LPS) found in the outer membrane of Gram-negative bacteria. SAR evaluation of compounds in this series revealed analogs with potent antibacterial activity against challenging Gram-negative species such as Pseudomonas aeruginosa and Klebsiella pneumoniae. (C) 2012 Elsevier Ltd. All rights reserved.