1-(1H-benzoimidazol-5-yl)-3-hydroxy-4-methyl-5-(6-methyl-4-oxo-4H-chromen-3-yl)-1,5-dihydro-pyrrol-2-one | 1024609-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-(1H-benzoimidazol-5-yl)-3-hydroxy-4-methyl-5-(6-methyl-4-oxo-4H-chromen-3-yl)-1,5-dihydro-pyrrol-2-one
• 英文别名: 1-(3H-benzimidazol-5-yl)-4-hydroxy-3-methyl-2-(6-methyl-4-oxochromen-3-yl)-2H-pyrrol-5-one
• CAS: 1024609-78-6
• 化学式: C₂₂H₁₇N₃O₄
• 分子量: 387.395
• InChiKey: WUVWIFDXHWCLSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  95.5
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS<br/>[FR] AZABENZIMIDAZOLES ET LEUR UTILISATION EN TANT QUE MODULATEURS DES RÉCEPTEURS AMPA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016176460A1

  公开（公告）日：2016-11-03

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, [formula (I) should be inserted here]. Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  本文件提供了公式(I)的化合物，以及药学上可接受的盐、N-氧化物或溶剂化物[此处应插入公式(I)]。此外，还提供了包含公式(I)化合物的药物组合物以及使用公式(I)化合物的方法。
• FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20180111942A1

  公开（公告）日：2018-04-26

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  提供的是公式(I)的化合物，以及药学上可接受的盐、N-氧化物或溶剂化物， 还提供包含公式(I)化合物的药物组合物以及使用公式(I)化合物的方法。
• Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof
  申请人：Dickson K. John

  公开号：US20060009460A1

  公开（公告）日：2006-01-12

  Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are disclosed.

  本发明公开了基于喹啉和异喹啉的化合物，展现出ATP利用酶抑制活性，公开了使用展现出ATP利用酶抑制活性的化合物的方法，并公开了包含展现出ATP利用酶抑制活性的化合物的组合物。
• Novel Inhibitors of Glutaminyl Cyclase
  申请人：Thormann Michael

  公开号：US20090269301A1

  公开（公告）日：2009-10-29

  The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, R 1 represents heteroaryl, -carbocyclyl-heteroaryl, -alkenylheteroaryl or -alkylheteroaryl; R 2 represents hydrogen; halogen; alkenyl; alkynyl; -alkenylaryl; -alkenylheteroaryl; alkyl, which may optionally be substituted by one or more groups selected from halogen, hydroxyl, alkoxy-, -thioalkyl, —C(O)OH and —C(O)O-alkyl; carbocyclyl, which may optionally be substituted by one or more groups selected from alkyl, halogen, hydroxyl, alkoxy-, -thioalkyl, —C(O)OH and —C(O)O-alkyl; -alkylcarbocyclyl; -alkylheterocyclyl; aryl; heteroaryl; heterocyclyl; -alkylaryl; -alkyl(aryl) 2 , -alkylheteroaryl; -aryl-heteroaryl; -heterocyclyl-aryl; -aryl-aryl; -heteroaryl-aryl; -heteroaryl-heteroaryl, and —C(O)R 4 ; R 3 represents halogen; alkyl optionally substituted by one or more groups selected from halogen, hydroxyl, alkoxy, thioalkyl, —C(O)OH and —C(O)O-alkyl; aryl; heteroaryl; —C(O)R 5 ; R 4 and R 5 independently represent alkyl, aryl, heteroaryl, -alkylaryl, -alkylheteroaryl, carbocyclyl, heterocyclyl, -alkylcarbocyclyl and -alkylheterocyclyl, with the proviso that, when R 1 is imidazolyl, -carbocyclyl-imidazolyl, -alkenyl-imidazolyl or -alkyl-imidazolyl, then R 3 may not be —C(O)R 5 .

  本发明涉及式（I）化合物，其组合物和用于疾病治疗的用途。其中，R1代表杂环芳基，-碳环芳基-杂环芳基，-烯基杂环芳基或-烷基杂环芳基；R2代表氢，卤素，烯基，炔基，-烯基芳基，-烯基杂环芳基，烷基，可以选择被一个或多个从卤素，羟基，烷氧基，硫代烷基，-C（O）OH和-C（O）O-烷基中选择的基团取代的烷基，可以选择被一个或多个从烷基，卤素，羟基，烷氧基，硫代烷基，-C（O）OH和-C（O）O-烷基中选择的基团取代的碳环芳基，可以选择被一个或多个从烷基，卤素，羟基，烷氧基，硫代烷基，-C（O）OH和-C（O）O-烷基中选择的基团取代的-烷基碳环芳基，-烷基杂环芳基，芳基，杂环芳基，杂环芳基，-烷基芳基2，-烷基杂环芳基，-芳基杂环芳基，-杂环芳基-芳基，-芳基-芳基，-杂环芳基-芳基，-杂环芳基-杂环芳基和-C（O）R4；R3代表卤素，烷基，可以选择被一个或多个从卤素，羟基，烷氧基，硫代烷基，-C（O）OH和-C（O）O-烷基中选择的基团取代的烷基，芳基，杂环芳基和-C（O）R5；R4和R5独立地代表烷基，芳基，杂环芳基，-烷基芳基，-烷基杂环芳基，碳环芳基，杂环芳基，-烷基碳环芳基和-烷基杂环芳基，但当R1是咪唑基，-碳环芳基-咪唑基，-烯基咪唑基或-烷基咪唑基时，R3不能是-C（O）R5。
• Method for predicting skin sensitizing activity of compounds
  申请人：Dickson, JR. John K.

  公开号：US20090069338A1

  公开（公告）日：2009-03-12

  Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are disclosed.

  本发明揭示了基于喹啉和异喹啉的化合物，这些化合物表现出ATP利用酶抑制活性，以及使用表现出ATP利用酶抑制活性的化合物的方法和包含表现出ATP利用酶抑制活性的化合物的组合物。