[2-[(4E)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-phenylpropanoyl]carbamic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [2-[(4E)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-phenylpropanoyl]carbamic acid
• 化学式: C₂₄H₁₇Cl₂N₃O₅S
• 分子量: 530.4
• InChiKey: QYBVAGXYECZONY-LDADJPATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• [EN] INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE<br/>[FR] INHIBITION DE CIBLES ANTIMICROBIENNES AYANT UN POTENTIEL RÉDUIT POUR LA RÉSISTANCE
  申请人：AVACYN PHARMACEUTICALS INC

  公开号：WO2014026009A2

  公开（公告）日：2014-02-13

  The application describes targets and methods that can inhibit bacterial growth in Gram-positive and Gram-negative bacteria. A bacterial enzyme, 2-epimerase, is common to both Gram-positive and Gram-negative bacteria and contains an allosteric site that can be targeted to disrupt the enzyme. The allosteric site is present on the bacterial 2-epimerase, but the analogous mammalian enzyme does not contain the allosteric site, providing a route for attacking bacterial infections without affecting the mammalian enzyme.