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9-amino-5-bromo-2-cyclobutyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one | 1093951-28-0

中文名称
——
中文别名
——
英文名称
9-amino-5-bromo-2-cyclobutyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
英文别名
9-amino-5-bromo-2-cyclobutyl-2,3-dihydro-pyrrolo[3,4-b]quinolin-1-one;9-amino-5-bromo-2-cyclobutyl-3H-pyrrolo[3,4-b]quinolin-1-one
9-amino-5-bromo-2-cyclobutyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one化学式
CAS
1093951-28-0
化学式
C15H14BrN3O
mdl
——
分子量
332.2
InChiKey
RJJHWJWVPYUTJC-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

计算性质

  • 辛醇/水分配系数(LogP):
    2.7
  • 重原子数:
    20
  • 可旋转键数:
    1
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    59.2
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2
    • 3
    • 4
    • 5

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Development and SAR of functionally selective allosteric modulators of GABAA receptors
    摘要:
    Positive modulators at the benzodiazepine site of alpha 2- and alpha 3-containing GABA(A) receptors are believed to be anxiolytic. Through oocyte voltage clamp studies, we have discovered two series of compounds that are positive modulators at alpha 2-/alpha 3-containing GABA(A) receptors and that show no functional activity at alpha 1-containing GABAA receptors. We report studies to improve this functional selectivity and ultimately deliver clinical candidates. The functional SAR of cinnolines and quinolines that are positive allosteric modulators of the alpha 2- and alpha 3-containing GABA(A) receptors, while simultaneously neutral antagonists at alpha 1-containing GABAA receptors, is described. Such functionally selective modulators of GABA(A) receptors are expected to be useful in the treatment of anxiety and other psychiatric illnesses. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2011.03.035
  • 作为产物:
    参考文献:
    名称:
    Development and SAR of functionally selective allosteric modulators of GABAA receptors
    摘要:
    Positive modulators at the benzodiazepine site of alpha 2- and alpha 3-containing GABA(A) receptors are believed to be anxiolytic. Through oocyte voltage clamp studies, we have discovered two series of compounds that are positive modulators at alpha 2-/alpha 3-containing GABA(A) receptors and that show no functional activity at alpha 1-containing GABAA receptors. We report studies to improve this functional selectivity and ultimately deliver clinical candidates. The functional SAR of cinnolines and quinolines that are positive allosteric modulators of the alpha 2- and alpha 3-containing GABA(A) receptors, while simultaneously neutral antagonists at alpha 1-containing GABAA receptors, is described. Such functionally selective modulators of GABA(A) receptors are expected to be useful in the treatment of anxiety and other psychiatric illnesses. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2011.03.035
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文献信息

  • Compounds and Uses Thereof - 848
    申请人:Chang Hui-Fang
    公开号:US20080318943A1
    公开(公告)日:2008-12-25
    This invention relates to novel compounds having the structural formula I below: and their pharmaceutically acceptable salts, tautomers or in vivo-hydrolysable precursors, compositions and methods of use thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are defined in the specification. These novel compounds provide a treatment or prophylaxis of anxiety disorders, schizophrenia, cognitive disorders, and/or mood disorders.
    本发明涉及具有下面结构式I的新化合物:及其药用盐、互变异构体或体内解前体,其组合物和使用方法,其中R1、R2、R3、R4、R5和R6在规范中定义。这些新化合物提供了治疗或预防焦虑症、精神分裂症、认知障碍和/或情绪障碍的方法。
  • Developing dual functional allosteric modulators of GABAA receptors
    作者:Xiaodong F. Liu、Hui-Fang Chang、Richard Jon Schmiesing、Steven S. Wesolowski、Katharine S. Knappenberger、Jeffrey L. Arriza、Marc J. Chapdelaine
    DOI:10.1016/j.bmc.2010.09.058
    日期:2010.12
    Positive modulators at benzodiazepine sites of alpha 2- and alpha 3-containing GABA(A) receptors are believed to be anxiolytic. Negative allosteric modulators of alpha 5-containing GABA(A) receptors enhance cognition. By oocyte two-electrode voltage clamp and subsequent structure-activity relationship studies, we discovered cinnoline and quinoline derivatives that were both positive modulators at alpha 2-/alpha 3-containing GABA(A) receptors and negative modulators at alpha 5-containing GABA(A) receptors. In addition, these compounds showed no functional activity at alpha 1-containing GABA(A) receptors. Such dual functional modulators of GABA(A) receptors might be useful for treating comorbidity of anxiety and cognitive impairments in neurological and psychiatric illnesses. (C) 2010 Elsevier Ltd. All rights reserved.
  • FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS
    申请人:AstraZeneca AB
    公开号:EP2176263A2
    公开(公告)日:2010-04-21
  • [EN] COMPOUNDS AND USES THEREOF-848<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
    申请人:ASTRAZENECA AB
    公开号:WO2008155572A2
    公开(公告)日:2008-12-24
    [EN] This invention relates to novel compounds having the structural formula (I) below: and their pharmaceutically acceptable salts, tautomers or in vivo-hydrolysable precursors, compositions and methods of use thereof, wherein R1, R2, R3, R4, R5, and R6 are defined in the specification. These novel compounds provide a treatment or prophylaxis of anxiety disorders, schizophrenia, cognitive disorders, and/or mood disorders.
    [FR] Cette invention porte sur de nouveaux composés présentant la formule structurale (I) ci-après : et sur leurs sels, tautomères ou précurseurs hydrolysable in-vivo, pharmaceutiquement acceptables, et sur des compositions et des procédés pour leur utilisation. Dans la formule (I), R1, R2, R3, R4, R5, et R6 sont définis dans la description. Ces nouveaux composés fournissent un traitement ou une prophylaxie de troubles de l'anxiété, de la schizophrénie, de troubles cognitifs et/ou de troubles de l'humeur.
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