1-(1H-benzoimidazol-5-yl)-3-hydroxy-4-(3-methyl-butyryl)-5-(1-methyl-1H-indol-3-yl)-1,5-dihydro-pyrrol-2-one | 1024609-28-6

• 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: 1-(1H-benzoimidazol-5-yl)-3-hydroxy-4-(3-methyl-butyryl)-5-(1-methyl-1H-indol-3-yl)-1,5-dihydro-pyrrol-2-one
• 英文别名: 1-(3H-benzimidazol-5-yl)-4-hydroxy-3-(3-methylbutanoyl)-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
• CAS: 1024609-28-6
• 化学式: C₂₅H₂₄N₄O₃
• 分子量: 428.491
• InChiKey: HYOOBZONTOOVDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  91.2
• 氢给体数：
  2
• 氢受体数：
  4

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
• Chloroplast-derived human vaccine antigens against malaria
  申请人：Daniell Henry

  公开号：US20090297550A1

  公开（公告）日：2009-12-03

  Disclosed is a method of making a malaria vaccine, the method comprising stably transforming a plant by inserting into its plastid genome a nucleic acid sequence encoding and operable to constitutively express a malaria antigenic polypeptide selected from AMA-1, MSP-1 or both; harvesting the stably transformed plant in whole or in part; purifying the expressed malaria antigenic polypeptide from the harvested plant; and packaging the purified antigenic polypeptide under sterile conditions in an amount for a predetermined dosage. Also disclosed is an oral vaccine effective in raising malaria antibodies in a susceptible host, the vaccine comprising leaf material from an edible plant containing plastids stably transformed to constitutively express a fusion polypeptide consisting essentially of cholera toxin B subunit and a malaria antigenic polypeptide selected from AMA-1, MSP-1 or both.
• US8278345B2
  申请人：——

  公开号：US8278345B2

  公开（公告）日：2012-10-02
• [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.