8-Methyl-5-(4-(N,N-dimethylsulfamoyl)phenyl)-6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinoline-2,3-dione-3-O-((3-methoxy-5-methyl-isoxazol-4-yl)methyl)oxime | 245063-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 8-Methyl-5-(4-(N,N-dimethylsulfamoyl)phenyl)-6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinoline-2,3-dione-3-O-((3-methoxy-5-methyl-isoxazol-4-yl)methyl)oxime
• 英文别名: 4-[3-[(3-methoxy-5-methyl-1,2-oxazol-4-yl)methoxyimino]-8-methyl-2-oxo-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-5-yl]-N,N-dimethylbenzenesulfonamide
• CAS: 245063-50-7
• 化学式: C₂₆H₂₉N₅O₆S
• 分子量: 539.612
• InChiKey: QFVCGPIDGNGCGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• [EN] HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS<br/>[FR] QUINAZOLINYL NITROFURANES HALOGENES UTILISES COMME AGENTS ANTIBACTERIENS
  申请人：ULYSSES PHARMACEUTICAL PRODUCT

  公开号：WO2005014585A1

  公开（公告）日：2005-02-17

  The present invention includes novel compounds of the formula (I) wherein X is absent or trans or cis CHCH, R1 is (C1-C10) alkyl unsubstituted or substituted by one to three hydroxy, (C1-C10) alkenyl unsubstituted or substituted by one to three hydroxy, (C1-C10) alkynyl unsubstituted or substituted by one to three hydroxy, or aryl unsubstituted or substituted by one to three hydroxy; R2 is hydrogen, alkyl or aryl; R3 and R4 are, independently of each other, H, halogen, or a solubilizing group, with the proviso that at least one of R3 and R4 is halogen; and pharmaceutically acceptable salts thereof. The invention also includes pharmaceutically acceptable formulations of said compounds which exhibit antibiotic activity against a wide spectrum of microorganisms including organisms which are resistant to multiple antibiotic families and are useful as antibacterial agents for treatment or prophylaxis of bacterial infections, or their use as antiseptics, agents for sterilization or disinfection.

  本发明包括具有以下式（I）的新化合物，其中X不存在或为顺式或反式CHCH，R1是未取代或通过一个到三个羟基取代的（C1-C10）烷基，未取代或通过一个到三个羟基取代的（C1-C10）烯基，未取代或通过一个到三个羟基取代的（C1-C10）炔基，或未取代或通过一个到三个羟基取代的芳基；R2是氢、烷基或芳基；R3和R4独立于彼此，为H、卤素或溶解基团，但R3和R4中至少有一个是卤素；以及其药用可接受的盐。该发明还包括所述化合物的药用可接受配方，对包括对多种抗生素家族具有抗生素活性的广谱微生物具有活性，这些微生物对多种抗生素家族具有抗性，并且可用作抗菌剂，用于治疗或预防细菌感染，或作为防腐剂、杀菌剂或消毒剂。
• [EN] ISATINE DERIVATIVES WITH NEUROTROPHIC ACTIVITY<br/>[FR] DERIVES DE L'ISATINE A ACTIVITE NEUROTROPHIQUE
  申请人：NEUROSEARCH AS

  公开号：WO2001055110A1

  公开（公告）日：2001-08-02

  The present invention relates to novel isatin derivatives, pharmaceutical compositions comprising the isatin derivatives of the invention, methods of preparing the isatin derivatives of the invention, their use in the treatment of neurodegenerative diseases and for the regeneration or prevention of degeneration of lesioned and damaged neurons, and methods of treatment of neurodegenerative diseases and for the regeneration or prevention of degeneration of lesioned and damaged neurons.

  本发明涉及新型异喹啉衍生物，包括本发明的异喹啉衍生物的制药组合物，制备本发明的异喹啉衍生物的方法，它们在治疗神经退行性疾病和再生或预防损伤和受损神经元的退化中的使用，以及神经退行性疾病的治疗和再生或预防受损神经元的退化的方法。
• Compositions containing N-amino- and N-hydroxy-quinazolinones and methods for preparing libraries thereof
  申请人：——

  公开号：US20010018518A1

  公开（公告）日：2001-08-30

  The present invention is directed to certain N-amino- and N-hydroxy-quinazolinone compounds and synthetic methods for synthesis thereof, which compounds may find use in combinatorial libraries. More specifically, the invention is directed to the synthesis of 3-hydroxy- and 3-amino-4(1H)-quinazolinones via the reaction of an appropriate 2-aminobenzamide compound with a carboxylic acid or acyl halide at ambient temperature performed on a solid support or in solution.

  本发明涉及某些N-氨基和N-羟基喹唑酮化合物及其合成方法，这些化合物可在组合化学库中找到应用。更具体地，本发明涉及通过在固体支持物或溶液中在环境温度下将适当的2-氨基苯甲酰胺化合物与羧酸或酰卤反应来合成3-羟基和3-氨基-4（1H）-喹唑酮的合成方法。
• Halogenated quinazolinyl nitrofurans as antibacterial agents
  申请人：Chamberland Suzanne

  公开号：US20060258693A1

  公开（公告）日：2006-11-16

  The present invention includes novel compounds of the formula (I) wherein X is absent or trans or cis CHCH, R 1 is (C 1 -C 10 ) alkyl unsubstituted or substituted by one to three hydroxy, (C 1 -C 10 ) alkenyl unsubstituted or substituted by one to three hydroxy, (C 1 -C 10 ) alkynyl unsubstituted or substituted by one to three hydroxy, or aryl unsubstituted or substituted by one to three hydroxy; R 2 is hydrogen, alkyl or aryl; R 3 and R 4 are, independently of each other, H, halogen, or a solubilizing group, with the provisio that at least one of R 3 and R 4 is halogen; and pharmaceutically acceptable salts thereof. The invention also includes pharmaceutically acceptable formulations of said compounds which exhibit antibiotic activity against a wide spectrum of microorganisms including organisms which are resistant to multiple antibiotic families and are useful as antibacterial agents for treatment or prophylaxis of bacterial infections, or their use as antiseptics, agents for sterilization or disinfection.

  本发明包括化合物的新构型（I），其中X不存在或为顺式或反式CHCH，R1为（C1-C10）烷基，未取代或取代1至3个羟基，（C1-C10）烯基，未取代或取代1至3个羟基，（C1-C10）炔基，未取代或取代1至3个羟基，或芳基，未取代或取代1至3个羟基；R2为氢，烷基或芳基；R3和R4独立地为H，卤素或溶解基团，但至少其中之一为卤素；以及其药学上可接受的盐。本发明还包括所述化合物的药学上可接受的制剂，其具有抗生素活性，可针对广谱微生物包括对多种抗生素家族具有抗药性的微生物，用作治疗或预防细菌感染的抗菌剂，或用作消毒剂、灭菌剂。
• HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS
  申请人：Chamberland Suzanne

  公开号：US20080146562A1

  公开（公告）日：2008-06-19

  The present invention includes novel compounds of the formula wherein: X is absent, or trans or cis CHCH; R 1 is (C 1 -C 10 )alkyl unsubstituted or substituted by one to three hydroxy, (C 2 -C 10 )alkenyl unsubstituted or substituted by one to three hydroxy, (C 2 -C 10 )alkynyl unsubstituted or substituted by one to three hydroxy, or aryl unsubstituted or substituted by one to three hydroxy; R 2 is hydrogen, alkyl or aryl, wherein R 1 and R 2 when taken together form a (C 2 -C 10 )cycloalkyl unsubstituted or substituted by one to three hydroxy; and R 3 and R 4 are, independently of each other, H, halogen, or wherein: P and R are each independently selected from CH 2 , CH 2 CH 2 and CH 2 CHT, wherein T is alkyl; Q is O, S, NH or NCH 3 ; and Y is absent or —CH 2 CH 2 ) n O—, and n=1 or 2; with the proviso that at least one of R 3 and R 4 is halogen, and that when R 4 is halogen, R 3 is hydrogen and Y is absent, neither R 1 nor R 2 are alkyl; or pharmaceutically acceptable salts thereof. The invention also includes pharmaceutically acceptable formulations of said compounds which exhibit antibiotic activity against a wide spectrum of microorganisms including organisms which are resistant to multiple antibiotic families and are useful as antibacterial agents for treatment or prophylaxis of bacterial infections, or their use as antiseptics, agents for sterilization or disinfection.

  本发明涵盖了新型化合物的公式，其中：X为不存在，或为顺式或反式的CHCH; R1为(C1-C10)烷基，未取代或取代1-3个羟基，(C2-C10)烯基，未取代或取代1-3个羟基，(C2-C10)炔基，未取代或取代1-3个羟基，或芳基，未取代或取代1-3个羟基; R2为氢、烷基或芳基，当R1和R2共同形成一个(C2-C10)环烷基时，未取代或取代1-3个羟基; R3和R4是独立的，为氢、卤素或，其中：P和R各自独立选择为CH2， 和 CHT，其中T为烷基; Q为O、S、NH或NCH3; Y为不存在或— )nO—，n=1或2; 前提是至少R3和R4中的一个是卤素，当R4为卤素时，R3为氢且Y不存在，R1和R2均不是烷基; 或其药学上可接受的盐。本发明还包括所述化合物的药学上可接受的制剂，其对广谱微生物包括对多种抗生素家族抗药性的微生物表现出抗生素活性，并可用作治疗或预防细菌感染的抗菌剂，或用作消毒剂、杀菌剂或消毒剂。