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5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid | 112811-78-6

中文名称
——
中文别名
——
英文名称
5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid
英文别名
5-amino-1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid;5-amino-1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylic acid;5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid化学式
CAS
112811-78-6
化学式
C14H12F2N2O4
mdl
——
分子量
310.257
InChiKey
GIRLROWRRLTKFZ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    546.9±50.0 °C(Predicted)
  • 密度:
    1.641±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    22
  • 可旋转键数:
    3
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.29
  • 拓扑面积:
    92.9
  • 氢给体数:
    2
  • 氢受体数:
    8

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2

反应信息

  • 作为反应物:
    描述:
    4-叔丁氧羰基氨基哌啶5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid三乙胺三氟乙酸 作用下, 生成 5-Amino-7-(4-aminopiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
    参考文献:
    名称:
    The Synthesis, Structure-Activity, and Structure-Side Effect Relationships of a Series of 8-Alkoxy- and 5-Amino-8-alkoxyquinolone Antibacterial Agents
    摘要:
    A series of 1-cyclopropyl-6-fluoro-8-alkoxy (8-methoxy and 8-ethoxy)-quionoline-3-carboxylic acids and 1-cyclopropyl-5-amino-6-fluoro-8-alkoxyquinoline-3-carboxylic acids has been prepared and evaluated for antibacterial activity. In addition, they were also compared to quinolones with classic substitution at C-8 (H, F, Cl) and the naphthyridine nucleus in a phototoxicity and mammalian cell cytotoxicity assay. The series of 8-methoxyquinolones had antibacterial activity against Gram-positive, Gram-negative, and anaerobic bacteria equivalent to the most active 8-substituted compounds (8-F and 8-Cl). There was also a concomitant reduction in several of the potential side effects (i.e., phototoxicity and clonogenicity) compared to the most active quinolones with classic substitution at C-8. The 8-ethoxy derivatives had an even better safety profile but were significantly less active (2-3 dilutions) in the antibacterial assay.
    DOI:
    10.1021/jm00022a013
  • 作为产物:
    描述:
    参考文献:
    名称:
    The Synthesis, Structure-Activity, and Structure-Side Effect Relationships of a Series of 8-Alkoxy- and 5-Amino-8-alkoxyquinolone Antibacterial Agents
    摘要:
    A series of 1-cyclopropyl-6-fluoro-8-alkoxy (8-methoxy and 8-ethoxy)-quionoline-3-carboxylic acids and 1-cyclopropyl-5-amino-6-fluoro-8-alkoxyquinoline-3-carboxylic acids has been prepared and evaluated for antibacterial activity. In addition, they were also compared to quinolones with classic substitution at C-8 (H, F, Cl) and the naphthyridine nucleus in a phototoxicity and mammalian cell cytotoxicity assay. The series of 8-methoxyquinolones had antibacterial activity against Gram-positive, Gram-negative, and anaerobic bacteria equivalent to the most active 8-substituted compounds (8-F and 8-Cl). There was also a concomitant reduction in several of the potential side effects (i.e., phototoxicity and clonogenicity) compared to the most active quinolones with classic substitution at C-8. The 8-ethoxy derivatives had an even better safety profile but were significantly less active (2-3 dilutions) in the antibacterial assay.
    DOI:
    10.1021/jm00022a013
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文献信息

  • Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments
    申请人:De Souza Noel John
    公开号:US06878713B2
    公开(公告)日:2005-04-12
    This invention relates to new generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, to their optical isomers, diastereomers or enantiomers, as well as pharmaceutically acceptable salts, hydrates, prodrugs, polymorphs and pseudopolymorphs thereof, to their preparation, to their compositions and to their use.
    这项发明涉及新一代三靶向手性广谱抗菌7-取代哌啶喹啉羧酸生物,以及它们的光学异构体、二对映异构体或对映异构体,以及它们的药用盐、合物、前药、多型和伪多型,以及它们的制备、组合物和用途。
  • Novel quinolonecarboxylic acid derivatives
    申请人:Chugai Seiyaku Kabushiki Kaisha
    公开号:US05051509A1
    公开(公告)日:1991-09-24
    Novel compounds of the present invention are represented by the general formula (1) ##STR1## wherein R.sub.1 is hydrogen atom or amino, R.sub.2 is fluorine atom or methoxy, R.sub.3 is hydrogen atom or a lower alkyl having 1 to 3 carbon atoms, and n is 0 or 1. The compounds of the general formula (1) exhibit higher antibacterial activity with fewer side-effects than known quinolone antibiotics such as ofloxacin and norfloxacin. Further, the compounds having the general formula (1) have reduced phototoxicity which normally accompanies 6,8-defluoroquinoline antibiotics.
    本发明的新型化合物由通式(1)表示:##STR1##其中R1是氢原子或基,R2是原子或甲氧基,R3是氢原子或含有1至3个碳原子的低级烷基,n是0或1。通式(1)的化合物表现出比已知的喹诺酮类抗生素如氧氟沙星诺氟沙星更高的抗菌活性和更少的副作用。此外,具有通式(1)的化合物减少了通常伴随6,8-二氟喹啉类抗生素的的光毒性。
  • Aminoquinolones as GSK-3 inhibitors
    申请人:Cociorva Oana
    公开号:US20070254866A1
    公开(公告)日:2007-11-01
    Provided herein are aminoquinolones and pharmaceutically acceptable derivatives thereof. In certain embodiments, provided herein are compounds, compositions and methods for treating, preventing or ameliorating GSK-3 mediated diseases.
    本文提供了喹啉及其药用可接受的衍生物。在某些实施例中,本文提供了用于治疗、预防或改善GSK-3介导疾病的化合物、组合物和方法。
  • 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid
    申请人:SynPhar Laboratories, Inc.
    公开号:US05342846A1
    公开(公告)日:1994-08-30
    Substituted quinoline compounds and intermediates thereto, processes for producing those compounds and intermediates, pharmaceutical compositions using those compounds, methods for treating bacterial infections using those compounds, and methods for disinfecting using those compounds.
    取代喹啉化合物及其中间体,生产这些化合物和中间体的过程,使用这些化合物的药物组合物,使用这些化合物治疗细菌感染的方法,以及使用这些化合物进行消毒的方法。
  • Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith
    申请人:Bayer Aktiengesellschaft
    公开号:US06288081B1
    公开(公告)日:2001-09-11
    The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives which are substituted in position 7 by a 1-aminomethyl-2-oxa-7-azabicyclo[3.3.0]oct-7-yl radical, and of their salts for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders.
    该发明涉及使用在位置7被1-基甲基-2-氧-7-氮代双环[3.3.0]辛-7-基取代的喹诺酮酮羧酸生物,以及它们的盐用于治疗幽门螺杆菌感染和相关的胃十二指肠疾病。
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