1-Hydroxy-N-[4-(methanesulfonyl)phenyl]naphthalene-2-carboxamide | 199929-33-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Hydroxy-N-[4-(methanesulfonyl)phenyl]naphthalene-2-carboxamide
• 英文别名: 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
• CAS: 199929-33-4
• 化学式: C₁₈H₁₅NO₄S
• 分子量: 341.4
• InChiKey: VBDYOPMZKQMAPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Cavity induced allosteric modificatin of intermolecular interactions and methods of identifiying compounds that effect the same
  申请人：The Trustees of The University of Pennsylvania

  公开号：EP2196930A1

  公开（公告）日：2010-06-16

  Method of identifying compounds that modulate intermolecular interactions between a target protein, such as β- lactamase, and a modifier, e.g. a substrate, are disclosed. Pharmaceutical composition comprising compounds that inhibit intermolecular interactions between the target protein and a modifier are disclosed. Methods of treating individual suffering from inflammatory conditions, undesirable immune responses, immunological conditions and bacterial infections are disclosed. The drug screening method is based on the identification of an allosteric-like cavity near (15-20 Å), but distinct from the critically active (catalytic) site, which interacts with the modifier.

  本发明公开了鉴定可调节靶蛋白（如β-内酰胺酶）与调节剂（如底物）之间分子间相互作用的化合物的方法。本发明还公开了药物组合物，该药物组合物包含可抑制靶蛋白与修饰剂之间分子间相互作用的化合物。本发明公开了治疗患有炎症、不良免疫反应、免疫学疾病和细菌感染的个体的方法。 该药物筛选方法是基于识别一个靠近（15-20 Å）但不同于关键活性（催化）位点的异位类空腔，该空腔与修饰剂相互作用。
• CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME
  申请人：The Trustees of The University of Pennsylvania

  公开号：EP1091974B1

  公开（公告）日：2010-06-02
• Cavity Induced Allosteric Modification Of Intermolecular Interactions And Methods Of Identifying Compounds That Effect The Same
  申请人：MURALI Ramachandran

  公开号：US20100151507A1

  公开（公告）日：2010-06-17

  Method of identifying compounds that modulate intermolecular interactions between a target protein and a modifier are disclosed. Pharmaceutical composition comprising compounds that inhibit intermolecular interactions between a target protein and a modifier are disclosed. Methods of treating individual suffering from inflammatory conditions, undesirable immune responses, immunological conditions and bacterial infections are disclosed.
• US7653495B1
  申请人：——

  公开号：US7653495B1

  公开（公告）日：2010-01-26
• US8019557B2
  申请人：——

  公开号：US8019557B2

  公开（公告）日：2011-09-13