(E)-4-{7-fluoro-6-morpholin-4-yl-2-[2-(5-nitrofuran-2-yl)vinyl]quinazolin-4-ylamino}phenol | 1141990-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (E)-4-{7-fluoro-6-morpholin-4-yl-2-[2-(5-nitrofuran-2-yl)vinyl]quinazolin-4-ylamino}phenol
• 英文别名: 4-[[7-fluoro-6-morpholin-4-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]phenol
• CAS: 1141990-78-4
• 化学式: C₂₄H₂₀FN₅O₅
• 分子量: 477.452
• InChiKey: MUZGSLLBANUEAQ-FNORWQNLSA-N

物化性质

• 沸点：
  591.9±50.0 °C(predicted)
• 密度：
  1.492±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4,5-二氟-2-硝基苯甲酸 在 palladium 10% on activated carbon 五氯化磷 、 硫酸 、 氨 、 氢气 、 三氯氧磷 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 水 、 溶剂黄146 为溶剂， 20.0~90.0 ℃ 、206.85 kPa 条件下， 反应 34.0h， 生成 (E)-4-{7-fluoro-6-morpholin-4-yl-2-[2-(5-nitrofuran-2-yl)vinyl]quinazolin-4-ylamino}phenol
  参考文献：
  名称：

  WO2008/113161

  摘要：

  公开号：

文献信息

• 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，CH2CH2和CH2CHT，其中T为烷基; Q为O、S、NH或NCH3; Y为不存在或—CH2CH2)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。
• [EN] PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME<br/>[FR] PROMÉDICAMENTS PHOSPHATES DE QUINAZOLINYLE NITROFURANNES, PROCÉDÉS D'OBTENTION ET UTILISATION DE CES PROMÉDICAMENTS
  申请人：ULYSSES PHARMACEUTICAL PRODUCT

  公开号：WO2008113161A1

  公开（公告）日：2008-09-25

  [EN] There is provided phosphate prodrugs of quinazolinyl nitrofurans having improved water solubility that are hydrolyzed to their respective quinazolinyl nitrofurans in vivo, upon administration to an animal. There is also provided methods of obtaining such phosphate prodrugs of quinazolinyl nitrofurans as well as methods of using. Formula (I).
  [FR] L'invention concerne des promédicaments phosphates de quinazolinyle nitrofurannes qui présentent une meilleure solubilité dans l'eau et qui sont hydrolysés en leurs quinazolinyle nitrofurannes respectifs in vivo, après administration à un animal. L'invention concerne également des procédés d'obtention de tels promédicaments phosphates de quinazolinyle nitrofurannes, ainsi que des procédés d'utilisation. Formule (I).
• [EN] HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS<br/>[FR] QUINAZOLINYL NITROFURANES HALOGÉNÉS COMME AGENTS ANTIMICROBIENS
  申请人：ULYSSES PHARMACEUTICAL PRODUCT

  公开号：WO2009046536A1

  公开（公告）日：2009-04-16

  The present invention is directed to novel compounds of the formula (1.0) wherein X is absent, or trans or cis CHCH, R1 is (C1-C10) alkyl unsubstituted or substituted by one to three hydroxy, (C2-C10)alkenyl unsubstituted or substituted by one to three hydroxy, (C2-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, wherein R1 and R2 when taken together form a (C2-C10)cycloalkyl unsubstituted or substituted by one to three hydroxy, and R3 and R4 are, independently of each other, H, halogen or formula (1.2) wherein P and R are each independently selected from CH2, CH2CH2 and CH2CHT, wherein T is alkyl, Q is O, S, NH or NCH3, and Y is absent or - (CH2CH2)nO-, and n=l or 2, with the proviso that at least one of R3 and R4 is halogen, and that when R4 is halogen, R3 is hydrogen and Y is absent, neither R1 nor R2 is alkyl, or pharmaceutical acceptable salts thereof
• WO2008/113161
  申请人：——

  公开号：——

  公开（公告）日：——