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7-ethoxy-11H-indeno[1,2-b]quinoxalin-11-one | 328977-60-2

中文名称
——
中文别名
——
英文名称
7-ethoxy-11H-indeno[1,2-b]quinoxalin-11-one
英文别名
7-ethoxyindeno[1,2-b]quinoxalin-11-one
7-ethoxy-11H-indeno[1,2-b]quinoxalin-11-one化学式
CAS
328977-60-2
化学式
C17H12N2O2
mdl
——
分子量
276.294
InChiKey
MAWBDDBDDYIMOK-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):
    3.1
  • 重原子数:
    21
  • 可旋转键数:
    2
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.12
  • 拓扑面积:
    52.1
  • 氢给体数:
    0
  • 氢受体数:
    4

反应信息

  • 作为反应物:
    描述:
    7-ethoxy-11H-indeno[1,2-b]quinoxalin-11-one硫酸羟胺 、 sodium hydroxide 作用下, 以 乙醇 为溶剂, 反应 8.0h, 以87%的产率得到7-ethoxy-11H-indeno[2,3-b]quinoxalin-11-one oxime
    参考文献:
    名称:
    合成,生物学评估和分子模拟的11 H-茚并[1,2-b]喹喔啉-11-1衍生物和类胰蛋白酶-6-肟作为c-Jun N端激酶抑制剂。
    摘要:
    c-Jun N末端激酶(JNK)在许多生理和病理过程中起着核心作用。我们合成了新型11H-茚并[1,2-b]喹喔啉-11-一肟类似物和色胺素6-肟(吲哚[2,1-b]喹唑啉-6,12-dion-6-肟),并对其进行了评估。对JNK活性的影响。几种化合物表现出亚微摩尔的JNK结合亲和力,对JNK1 / JNK3和JNK2具有选择性。最有效的化合物是10c(11H-茚并[1,2-b]喹喔啉-11-一个O-(O-乙基羧甲基)肟)和色胺酮-6-肟,它们的JNK1和JNK3的解离常数(Kd)为分别为22和76 nM,以及150和275 nM。分子建模表明在JNK催化位点的结合相互作用的模式,并且所选的肟衍生物是潜在的竞争性JNK抑制剂。化合物的JNK结合活性与其抑制脂多糖(LPS)诱导的人单核THP-1Blue细胞和白介素6(IL-β)中核因子-κB/活化蛋白1(NF-κB/ AP-1)活化的能力有关。
    DOI:
    10.1016/j.ejmech.2018.10.023
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文献信息

  • DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS
    申请人:Del Mar Pharmaceuticals
    公开号:EP2872161B1
    公开(公告)日:2020-12-16
  • Small Molecules for Inhibition of Protein Kinases
    申请人:Desai Renee
    公开号:US20110275645A1
    公开(公告)日:2011-11-10
    The invention provides compounds that inhibit protein kinases, prodrugs of the compounds, intermediates and methods of synthesizing the compounds and/or prodrugs, pharmaceutical compositions including the compounds and/or prodrugs and methods of using the compounds and/or prodrugs in a variety of contexts, including, for example, in the treatment and/or prevention of various diseases that are responsive to protein kinase inhibition and/or that are mediated, at least in part, by inappropriate kinase activity.
  • SMALL MOLECULE INHIBITORS OF PROTEIN KINASES
    申请人:Desai Ketan
    公开号:US20130058980A1
    公开(公告)日:2013-03-07
    Compounds that modulate, for example, that inhibit, syk kinase, and, optionally other kinases. The compounds can be used to treat a variety of disorders, including inflammatory disorders and autoimmune disorders.
  • METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF
    申请人:Del Mar Pharmaceuticals
    公开号:US20150182490A1
    公开(公告)日:2015-07-02
    Methods and compositions suitable for the treatment of malignancies in subjects with a germline deletion polymorphism that blocks the activity of thymidine kinase inhibitors in triggering apoptosis in tumor cells or in subjects having a mutation in or a dysregulation of the AHI1 gene are disclosed. These methods employ an alkylating hexitol derivative such as dianhydrogalactitol, a derivative or analog of dianhydrogalactitol, diacetyldianhydrogalactitol, a derivative or analog of diacetyldianhydrogalactitol, dibromodulcitol, and a derivative or analog of dibromodulcitol. The compositions can include such alkylating hexitol derivatives. The methods can further include administration of a BH3 mimetic, and the compositions can further include a BH3 mimetic. In subjects having a dysregulation of the AHI1 gene, the methods can further include the administration of an agent modulating the expression or activity of the AHI1 gene or AHI1 protein, and the compositions can further include such an agent.
  • METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR
    申请人:Del Mar Pharmaceuticals (BC) Ltd.
    公开号:US20210251944A1
    公开(公告)日:2021-08-19
    Methods and compositions suitable for the treatment of malignancies in subjects with a germline deletion polymorphism that blocks the activity of thymidine kinase inhibitors in triggering apoptosis in tumor cells or in subjects having a mutation in or a dysregulation of the AHI-1 gene are disclosed. These methods employ an alkylating hexitol derivative such as dianhydrogalactitol, a derivative or analog of dianhydrogalactitol, diacetyldianhydrogalactitol, a derivative or analog of diacetyldianhydrogalactitol, dibromodulcitol, and a derivative or analog of dibromodulcitol. The compositions can include such alkylating hexitol derivatives. The methods can further include administration of a BH3 mimetic, and the compositions can further include a BH3 mimetic. In subjects having a dysregulation of the AHI-1 gene, the methods can further include the administration of an agent modulating the expression or activity of the AHI-1 gene or AHI-1 protein, and the compositions can further include such an agent.
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