ethyl 2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)butanoate | 1414257-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)butanoate
• CAS: 1414257-98-9
• 化学式: C₁₇H₂₂N₂O₄S
• 分子量: 350.439
• InChiKey: BMSUZYWREBTPLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  97.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)butanoate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成
  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：

  在 一水合肼 作用下， 以 四氢呋喃 、 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