1-(1H-benzoimidazol-5-yl)-3-hydroxy-4-(3-methyl-butyryl)-5-(tetrahydro-furan-3-yl)-1,5-dihydro-pyrrol-2-one | 1024609-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(1H-benzoimidazol-5-yl)-3-hydroxy-4-(3-methyl-butyryl)-5-(tetrahydro-furan-3-yl)-1,5-dihydro-pyrrol-2-one
• 英文别名: 1-(3H-benzimidazol-5-yl)-4-hydroxy-3-(3-methylbutanoyl)-2-(oxolan-3-yl)-2H-pyrrol-5-one
• CAS: 1024609-41-3
• 化学式: C₂₀H₂₃N₃O₄
• 分子量: 369.42
• InChiKey: HLYAPBORGLOOIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  95.5
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 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。
• 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES
  申请人：Probiodrug AG

  公开号：EP2089383B1

  公开（公告）日：2015-09-16
• US8278345B2
  申请人：——

  公开号：US8278345B2

  公开（公告）日：2012-10-02