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5-((4-propargylpiperazin-1-yl)methyl)-8-hydroxyquinol | 686722-53-2

中文名称
——
中文别名
——
英文名称
5-((4-propargylpiperazin-1-yl)methyl)-8-hydroxyquinol
英文别名
HLA20;5-((4-Prop-2-ynylpiperazin-1-yl)methyl)quinolin-8-ol;5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol
5-((4-propargylpiperazin-1-yl)methyl)-8-hydroxyquinol化学式
CAS
686722-53-2
化学式
C17H19N3O
mdl
——
分子量
281.357
InChiKey
JWUOZHTYFQHGAB-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):
    1.8
  • 重原子数:
    21
  • 可旋转键数:
    3
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.35
  • 拓扑面积:
    39.6
  • 氢给体数:
    1
  • 氢受体数:
    4

SDS

SDS:9d4031a58170e445881e6bf66d90c4be
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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

反应信息

  • 作为反应物:
    描述:
    5-((4-propargylpiperazin-1-yl)methyl)-8-hydroxyquinol二甲氨基甲酰氯 在 sodium hydride 作用下, 以 四氢呋喃 为溶剂, 反应 0.33h, 以86%的产率得到5-((4-(propargyl)piperidin-l-yl)methyl)quinolin-8-yl dimethylcarbamate
    参考文献:
    名称:
    [EN] NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
    [FR] COMPOSÉS MULTIFONCTIONNELS NEUROPROTECTEURS ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT
    摘要:
    公开号:
    WO2010086860A3
  • 作为产物:
    参考文献:
    名称:
    Design, synthesis, and evaluation of novel bifunctional iron-chelators as potential agents for neuroprotection in Alzheimer’s, Parkinson’s, and other neurodegenerative diseases
    摘要:
    Several novel antioxidant-iron chelators bearing 8-hydroxyoxyquinoline moiety were synthesized, and various properties related to their iron chelation, and neuroprotective action were investigated. All the chelators exhibited strong iron(III) chelating and high antioxidant properties. Chelator 9 (HLA20). having good permeability into K562 cells and moderate selective MAO-B inhibitory activity (IC50 110 muM), displayed the hightest protective effects against differentiated P19 cell death induced by 6-hydroxydopamine. EPR studies suggested that Chelator 9 also act as radical scavenger to directly scavenge hydroxyl radical. (C) 2004 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2004.10.037
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文献信息

  • Neuroprotective iron chelators and pharmaceutical compositions comprising them
    申请人:Youdim Moussa
    公开号:US20060234927A1
    公开(公告)日:2006-10-19
    Novel iron chelators exhibiting neuroprotective and good transport properties are useful in iron chelation therapy for treatment of a disease, disorder or condition associated with iron overload and oxidative stress, eg. a neurodegenerative or cerebrovascular disease or disorder, a neoplastic disease, hemochromatosis, thalassemia, a cardiovascular disease, diabetes, a inflammatory disorder, anthracycline cardiotoxicity, a viral infection, a protozoal infection, a yeast infection, retarding ageing, and prevention and/or treatment of skin ageing and skin protection against sunlight and/or UV light. The iron chelator function is provided by a 8-hydroxyquinoline, a hydroxypyridinone or a hydroxamate moiety, the neuroprotective function is imparted to the compound e.g. by a neuroprotective peptide, and a combined antiapoptotic and neuroprotective function by a propargyl group.
    表现出神经保护和良好转运特性的新型铁螯合剂,在治疗与铁过载和氧化应激相关的疾病、障碍或病况中非常有用,例如神经退行性或脑血管疾病或障碍、肿瘤性疾病、血色病、地中海贫血、心血管疾病、糖尿病、炎症性疾病、蒽环类心肌毒性、病毒感染、原虫感染、酵母感染、延缓衰老,以及预防和/或治疗皮肤衰老和皮肤对阳光和/或紫外线的保护。铁螯合剂功能由8-羟基喹啉、羟基吡啶酮或羟肟基团提供,神经保护功能由神经保护肽赋予化合物,而丙炔基则提供了联合抗凋亡和神经保护功能。
  • NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
    申请人:Youdim Moussa B. H.
    公开号:US20120040993A1
    公开(公告)日:2012-02-16
    Multifunctional compounds are provided, comprising two or more functional moieties selected from: (i) a moiety that imparts an iron chelator function; (ii) a moiety that imparts a neuroprotective function; (iii) a moiety that imparts combined antiapoptotic, neuroprotective and/or neurorestorative functions; (iv) a moiety that imparts brain MAO inhibition, preferably with little or no MAO inhibition in liver and small intestine; (v) a moiety that imparts cholinesterase inhibitory function; and (vi) a moiety that imparts an N-methyl-D-aspartic acid receptor (NMDAR) inhibition, and pharmaceutically acceptable salts and optical isomers thereof. The multifunctional compounds are useful in the treatment or prevention of diseases, disorders or conditions that can be prevented and/or treated by iron chelation therapy, and/or neuroprotection and/or neurorestoration, and/or apoptosis inhibition and/or MAO inhibition and/or cholinesterase inhibition and/or NMADR inhibition. The present invention encompasses compounds of the formulas I to VI.
    提供了多功能化合物,包括从以下选择的两个或多个官能团:(i)赋予铁螯合剂功能的官能团;(ii)赋予神经保护功能的官能团;(iii)赋予联合抗凋亡、神经保护和/或神经修复功能的官能团;(iv)赋予大脑MAO抑制作用的官能团,优选在肝脏和小肠中几乎没有或没有MAO抑制作用;(v)赋予胆碱酯酶抑制作用的官能团;(vi)赋予N-甲基-D-天门冬氨酸受体(NMDAR)抑制作用的官能团,以及其药学上可接受的盐和光学异构体。这些多功能化合物在预防和/或治疗可以通过铁螯合疗法、神经保护和/或神经修复、凋亡抑制和/或MAO抑制和/或胆碱酯酶抑制和/或NMDAR抑制来预防和/或治疗的疾病、疾病或状况中是有用的。本发明涵盖了公式I至VI的化合物。
  • NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
    申请人:YOUDIM MOUSSA
    公开号:US20120058945A1
    公开(公告)日:2012-03-08
    Novel iron chelators exhibiting neuroprotective and good transport properties are useful in iron chelation therapy for treatment of a disease, disorder or condition associated with iron overload and oxidative stress, e.g., a neurodegenerative or cerebrovascular disease or disorder, a neoplastic disease, hemochromatosis, thalassemia, a cardiovascular disease, diabetes, an inflammatory disorder, anthracycline cardiotoxicity, a viral infection, a protozoal infection, a yeast infection, retarding aging, and prevention and/or treatment of skin aging and skin protection against sunlight and/or UV light. The iron chelator function is provided by a 8-hydroxyquinoline, a hydroxypyridinone or a hydroxamate moiety. The neuroprotective function is imparted to the compound, e.g., by a neuroprotective peptide. A combined antiapoptotic and neuroprotective function is provided by a propargyl group.
    表现出神经保护和良好输送特性的新型铁螯合剂,可用于治疗与铁过载和氧化应激相关的疾病、障碍或病况,例如神经退行性或脑血管疾病或障碍、肿瘤性疾病、血色病、地中海贫血、心血管疾病、糖尿病、炎症性疾病、蒽环类心肌毒性、病毒感染、原虫感染、酵母感染、延缓衰老以及预防和/或治疗皮肤老化和皮肤对阳光和/或紫外线的保护。铁螯合剂功能由8-羟基喹啉、羟基吡啶酮或羟肟酸基团提供。神经保护功能由神经保护肽等化合物赋予。丙炔基提供了联合抗凋亡和神经保护功能。
  • Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them
    申请人:Youdim Moussa B. H.
    公开号:US08802675B2
    公开(公告)日:2014-08-12
    Multifunctional compounds are provided, comprising two or more functional moieties selected from: (i) a moiety that imparts an iron chelator function; (ii) a moiety that imparts a neuroprotective function; (iii) a moiety that imparts combined antiapoptotic, neuroprotective and/or neurorestorative functions; (iv) a moiety that imparts brain MAO inhibition, preferably with little or no MAO inhibition in liver and small intestine; (v) a moiety that imparts cholinesterase inhibitory function; and (vi) a moiety that imparts an N-methyl-D-aspartic acid receptor (NMDAR) inhibition, and pharmaceutically acceptable salts and optical isomers thereof. The multifunctional compounds are useful in the treatment or prevention of diseases, disorders or conditions that can be prevented and/or treated by iron chelation therapy, and/or neuroprotection and/or neurorestoration, and/or apoptosis inhibition and/or MAO inhibition and/or cholinesterase inhibition and/or NMADR inhibition. The present invention encompasses compounds of the formulas I to VI.
    本发明提供了多功能化合物,包括从以下选择的两个或更多的功能基团:(i)赋予铁螯合功能的基团;(ii)赋予神经保护功能的基团;(iii)赋予联合抗凋亡、神经保护和/或神经恢复功能的基团;(iv)赋予大脑MAO抑制作用的基团,优选在肝脏和小肠中具有很少或没有MAO抑制作用;(v)赋予胆碱酯酶抑制作用的基团;以及(vi)赋予N-甲基-D-天门冬氨酸受体(NMDAR)抑制作用的基团,以及其药学上可接受的盐和光学异构体。这些多功能化合物在治疗或预防可以通过铁螯合疗法和/或神经保护和/或神经恢复和/或凋亡抑制和/或MAO抑制和/或胆碱酯酶抑制和/或NMADR抑制预防和/或治疗的疾病、疾病或情况中有用。本发明包括公式I至VI的化合物。
  • Parkin ligase activation methods and compositions
    申请人:An2H Discovery Limited
    公开号:US10155936B2
    公开(公告)日:2018-12-18
    The present invention is directed to methods and compositions for activating a Parkin ligase by administering to a subject in need thereof a therapeutically effective amount of a compound that disrupts at least one Parkin ligase zinc finger. The present invention is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase.
    本发明涉及通过向有需要的受试者施用治疗有效量的破坏至少一个Parkin连接酶锌指的化合物来激活Parkin连接酶的方法和组合物。本发明还涉及治疗和/或降低与激活Parkin连接酶有关的疾病或病症发病率的方法。
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