4-ethyl-3-hydroxy-1-(3-imidazol-1-yl-propyl)-5-(1H-indol-3-yl)-1,5-dihydro-pyrrol-2-one | 1024608-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-ethyl-3-hydroxy-1-(3-imidazol-1-yl-propyl)-5-(1H-indol-3-yl)-1,5-dihydro-pyrrol-2-one
• 英文别名: 3-ethyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2H-pyrrol-5-one
• CAS: 1024608-91-0
• 化学式: C₂₀H₂₂N₄O₂
• 分子量: 350.42
• InChiKey: SJHYUQBQKJJSAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  3

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。
• ANTIBODIES BINDING IL-1 RELATED POLYPEPTIDES
  申请人：GODDARD AUDREY

  公开号：US20090304701A1

  公开（公告）日：2009-12-10

  The present invention is directed to novel polypeptides having homology to the IL-1-like family of proteins and to nucleic acid molecules encoding those polypeptides. Also provided herein are vectors and host cells comprising those nucleic acid sequences, chimeric polypeptide molecules comprising the polypeptides of the present invention fused to heterologous polypeptide sequences, antibodies which bind to the polypeptides of the present invention, and methods for producing the polypeptides of the present invention.
• US8278345B2
  申请人：——

  公开号：US8278345B2

  公开（公告）日：2012-10-02
• US8628777B2
  申请人：——

  公开号：US8628777B2

  公开（公告）日：2014-01-14
• [EN] 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES<br/>[FR] DÉRIVÉS 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE UTILES EN TANT QU' INHIBITEURS DE LA GLUTAMINYL-CYCLASE DANS LE TRAITEMENT DES ULCÈRES, DU CANCER ET D'AUTRES MALADIES
  申请人：PROBIODRUG AG

  公开号：WO2008055945A1

  公开（公告）日：2008-05-15

  [EN] The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, R¹ represents heteroaryl, -carbocyclyl-heteroaryl, -alkenylheteroaryl or -alkylheteroaryl; R² 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)R⁴; R³ 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)R⁵; R⁴ and R⁵ independently represent alkyl, aryl, heteroaryl, -alkylaryl, -alkylheteroaryl, carbocyclyl, heterocyclyl, -alkylcarbocyclyl and -alkylheterocyclyl, with the proviso that, when R¹ is imidazolyl, -carbocyclyl-imidazolyl, -alkenyl-imidazolyl or -alkyl-imidazolyl, then R³ may not be -C(O)R⁵.
  [FR] La présente invention concerne des composés représentés par la formule (I), des combinaisons de ces derniers ainsi que leurs utilisations pour le traitement de maladies. Dans la formule, R¹ représente hétéroaryle, -carbocyclyl-hétéroaryle, -alcénylhétéroaryle ou -alkylhétéroaryle; R² représente hydrogène; halogène; alcényle; alcynyle; -alcénylaryle; -alcénylhétéroaryle; alkyle, qui peut être éventuellement remplacé par un ou plusieurs groupes sélectionnés parmi halogène, hydroxyle, alcoxy-, -thioalkyle, -C(O)OH et -C(O)O-alkyle; carbocyclyle, qui peut être éventuellement remplacé par un ou plusieurs groupes sélectionnés parmi alkyle, halogène, hydroxyle, alcoxy-, -thioalkyle, -C(O)OH et -C(O)O- alkyle; -alkylcarbocyclyle; -alkylhétérocyclyle; aryle; hétéroaryle; hétérocyclyle; -alkylaryle; -alkyl(aryl)2, -alkylhétéroaryle; -aryl-hétéroaryle; -hétérocyclyl-aryle; -aryl-aryle; -hétéroaryl-aryle; -hétéroaryl-hétéroaryle, et -C(O)R⁴; R³ représente halogène; alkyle éventuellement remplacé par un ou plusieurs groupes sélectionnés parmi halogène, hydroxyle, alcoxy, thioalkyle, -C(O)OH et -C(O)O-alkyle; aryle; hétéroaryle; -C(O)R⁵; R⁴ et R⁵ représentent indépendamment alkyle, aryle, hétéroaryle, -alkylaryle, -alkylhétéroaryle, carbocyclyle, hétérocyclyle, -alkylcarbocyclyle et -alkylhétérocyclyle, à condition que lorsque R¹ représente imidazolyle, -carbocyclyl-imidazolyle, -alcényl-imidazolyle ou -alkyl-imidazolyle, R³ puisse alors ne pas être -C(O)R⁵.