2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic 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-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
• 化学式: C₂₀H₁₃BrN₂O₄S₂
• 分子量: 489.4
• InChiKey: IQVADJFHSOSTEW-NXVVXOECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] A HIGH-THROUGHPUT ASSAY FOR IDENTIFYING SMALL MOLECULES THAT MODULATE AMP-ACTIVATED PROTEIN KINASE (AMPK)<br/>[FR] DOSAGE À HAUT RENDEMENT POUR IDENTIFIER DE PETITES MOLÉCULES QUI MODULENT LA PROTÉINE KINASE ACTIVÉE PAR L'AMP (AMPK)
  申请人：UNIV NORTH CAROLINA

  公开号：WO2016025023A1

  公开（公告）日：2016-02-18

  The present invention provides an in vitro method for identifying a compound that modulates adenosine monophosphate-activated protein kinase (AMPK) for the manufacture of a diagnostic or therapeutic agent. The present invention further provides an assay for identifying a compound that modulates AMPK.

  本发明提供了一种体外方法，用于鉴定调节腺苷单磷酸激活蛋白激酶（AMPK）的化合物，以制造诊断或治疗剂。本发明进一步提供了一种用于鉴定调节AMPK的化合物的检测方法。
• Oxo-Imidazolyl Compounds
  申请人：Bearss David J.

  公开号：US20090298900A1

  公开（公告）日：2009-12-03

  Compounds represented by Formula I and II, or pharmaceutically acceptable salts thereof: inhibit bacterial 2-epimerase and are useful anti-infective agents.

  由化学式I和II代表的化合物，或其药用可接受的盐：抑制细菌2-表皮酶，是有用的抗感染剂。
• High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK)
  申请人：North Carolina Central University

  公开号：US20160176859A1

  公开（公告）日：2016-06-23

  The present invention provides an in vitro method for identifying a compound that modulates adenosine monophosphate-activated protein kinase (AMPK) for the manufacture of a diagnostic or therapeutic agent. The present invention further provides an assay for identifying a compound that modulates AMPK.

  本发明提供了一种体外方法，用于鉴定调节腺苷酸单磷酸激活蛋白激酶（AMPK）的化合物，以制备诊断或治疗制剂。本发明还提供了一种用于鉴定调节AMPK的化合物的测定方法。
• OXO-IMIDAZOLYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY
  申请人：Astex Pharmaceuticals, Inc.

  公开号：EP2285802B1

  公开（公告）日：2015-11-11
• INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE
  申请人：The Rockefeller University

  公开号：US20140073639A1

  公开（公告）日：2014-03-13

  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.