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daidzein-7-ω-carboxypentyl ether | 146698-97-7

中文名称
——
中文别名
——
英文名称
daidzein-7-ω-carboxypentyl ether
英文别名
hexzein;6-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-hexanoic acid;6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanoic acid
daidzein-7-ω-carboxypentyl ether化学式
CAS
146698-97-7
化学式
C21H20O6
mdl
——
分子量
368.386
InChiKey
DBFSOUAUNGFRJO-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

  • 熔点:
    223-225 °C
  • 沸点:
    628.3±55.0 °C(Predicted)
  • 密度:
    1.320±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.4
  • 重原子数:
    27
  • 可旋转键数:
    8
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.24
  • 拓扑面积:
    93.1
  • 氢给体数:
    2
  • 氢受体数:
    6

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

反应信息

  • 作为产物:
    描述:
    对羟基苯乙酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾三氟化硼乙醚 作用下, 以 丙酮 为溶剂, 反应 100.5h, 生成 daidzein-7-ω-carboxypentyl ether
    参考文献:
    名称:
    The Mitochondrial Monoamine Oxidase−Aldehyde Dehydrogenase Pathway:  A Potential Site of Action of Daidzin
    摘要:
    Recent studies showed that daidzin suppresses ethanol intake in ethanol-preferring laboratory animals. In vitro, it potently and selectively inhibits the mitochondrial aldehyde dehydrogenase (ALDH-2). Further, it inhibits the conversion of monoamines such as serotonin (5-HT) and dopamine (DA) into their respective acid metabolites, 5-hydroxyindole-3-acetic acid (5-HIAA) and 3,4-dihydroxyphenylacetic acid (DOPAC) in isolated hamster or rat liver mitochondria. Studies on the suppression of ethanol intake and inhibition of 5-HIAA (or DOPAC) formation by six structural analogues of daidzin suggested a potential link between these two activities. This, together with the finding that daidzin does not affect the rates of mitochondria-catalyzed oxidative deamination of these monoamines, raised the possibility that the ethanol intake-suppressive (antidipsotropic) action of daidzin is not mediated by the monoamines but rather by their reactive biogenic aldehyde intermediates such as 5-hydroxyindole-3-acetaldehyde (5-HIAL) and/or 3,4-dihydroxyphenylacetaldehyde (DOPAL) which accumulate in the presence of daidzin. To further evaluate this possibility, we synthesized more structural analogues of daidzin and tested and compared their antidipsotropic activities in Syrian golden hamsters with their effects on monoamine metabolism in isolated hamster liver mitochondria using 5-HT as the substrate. Effects of daidzin and its structural analogues on the activities of monoamine oxidase (MAO) and ALDH-2, the key enzymes involved in 5-HT metabolism in the mitochondria, were also examined. Results from these studies reveal a positive correlation between the antidipsotropic activities of these analogues and their abilities to increase 5-HIAL, accumulation during 5-HT metabolism in isolated hamster liver mitochondria. Daidzin analogues that potently inhibit ALDH-2 but have no or little effect on MAO are most antidipsotropic, whereas those that also potently inhibit MAO exhibit little, if any, antidipsotropic activity. These results, although inconclusive, are consistent with the hypothesis that daidzin may act via the mitochondrial MAO/ALDH pathway and that a biogenic aldehyde such as 5-HIAL may be important in mediating its antidipsotropic action.
    DOI:
    10.1021/jm990614i
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文献信息

  • [EN] COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH<br/>[FR] COMPOSES UTILES DANS L'INHIBITION DE ALDH
    申请人:ENDOWMENT FOR RES IN HUMAN BIO
    公开号:WO2004002470A1
    公开(公告)日:2004-01-08
    The present invention provides novel antidipsotropic compounds. The invention further provides methods of inhibiting ALDH-2 using the compounds described herein. Methods for modulating alcohol consumption, alcohol dependence and/or alcohol abuse by administering the compounds of the invention to an individual are also provided. The present invention further provides a rationale for designing additional novel antidipsotropic compounds.
    本发明提供了一种新型的抗酒精致病化合物。本发明进一步提供了使用所述化合物抑制ALDH-2的方法。本发明还提供了通过向个体投给本发明的化合物来调节饮酒量、酒精依赖和/或酒精滥用方法。本发明进一步提供了设计其他新型抗酒精致病化合物的理论基础。
  • Compounds useful for the inhibition of ALDH
    申请人:The Endowment for Research in Human Biology, Inc,
    公开号:US20040068003A1
    公开(公告)日:2004-04-08
    The present invention provides novel antidipsotropic compounds. The invention further provides methods of inhibiting ALDH-2 using the compounds described herein. Methods for modulating alcohol consumption, alcohol dependence and/or alcohol abuse by administering the compounds of the invention to an individual are also provided. The present invention further provides a rationale for designing additional novel antidipsotropic compounds.
    本发明提供了新型的抗酒瘾化合物。本发明还提供了使用所述化合物抑制ALDH-2的方法。本发明还提供了通过向个体施用本发明的化合物来调节饮酒、酒精依赖和/或酗酒的方法。本发明还为设计其他新型抗酒瘾化合物提供了理论依据。
  • TREATMENT FOR COCAINE ADDICTION
    申请人:Tonix Pharmaceuticals, Inc.
    公开号:EP3170499A1
    公开(公告)日:2017-05-24
    A novel pharmaceutical composition is provided for the control of stimulant effects, in particular treatment of cocaine addiction, or further to treatment of both cocaine and alcohol dependency, including simultaneous therapeutic dose application or a single dose of a combined therapeutically effective composition of disulfiram and selegiline compounds or pharmaceutically acceptable non-toxic salt thereof.
    本研究提供了一种新型药物组合物,用于控制兴奋剂作用,特别是治疗可卡因成瘾,或进一步治疗可卡因和酒精依赖症,包括同时应用治疗剂量或单剂应用双硫仑和西格列汀化合物或其药学上可接受的无毒盐的联合治疗有效组合物。
  • Compositions and methods for increasing compliance with therapies using aldehyde dehydrogenase inhibitors and treating alcoholism
    申请人:——
    公开号:US20030087814A1
    公开(公告)日:2003-05-08
    Compositions and methods for treating, preventing, or reducing alcoholism, in particular methods for increasing patient compliance with therapies that require the intake of an ALDH inhibitor comprising the step of administering a monoamine oxidase B inhibitor.
    治疗、预防或减少酗酒的组合物和方法,特别是提高患者对需要摄入 ALDH 抑制剂的疗法的依从性的方法,包括施用单胺氧化酶 B 抑制剂的步骤。
  • METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE
    申请人:THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC.
    公开号:EP0592583A1
    公开(公告)日:1994-04-20
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