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1-(4-methyl-piperazine-1-carbonyl)piperidin-4-one hydrochloride | 802541-82-8

中文名称
——
中文别名
——
英文名称
1-(4-methyl-piperazine-1-carbonyl)piperidin-4-one hydrochloride
英文别名
1-(4-Methyl-piperazine-1-carbonyl)-piperidin-4-one hydrochloride;1-(4-methylpiperazine-1-carbonyl)piperidin-4-one;hydrochloride
1-(4-methyl-piperazine-1-carbonyl)piperidin-4-one hydrochloride化学式
CAS
802541-82-8
化学式
C11H19N3O2*ClH
mdl
——
分子量
261.752
InChiKey
KJZUKEWYWMAJAG-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):
    0.44
  • 重原子数:
    17
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.82
  • 拓扑面积:
    43.9
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    8-氨基-1-甲基-4,5-二氢-1H-吡唑[4,3-H]喹唑啉-3-甲酸乙酯1-(4-methyl-piperazine-1-carbonyl)piperidin-4-one hydrochloride三乙酰氧基硼氢化钠三氟乙酸 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 18.0h, 以50%的产率得到ethyl 1-methyl-8-({1-[(4-methylpiperazin-1-yl)carbonyl]piperidin-4-yl}amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate
    参考文献:
    名称:
    鉴定有效的吡唑并[4,3- h ]喹唑啉-3-羧酰胺为多细胞周期依赖性激酶抑制剂†
    摘要:
    由破坏细胞周期的机制破坏所介导的异常增殖实际上是所有癌细胞的标志。靶向针对细胞周期蛋白依赖性激酶(CDK)和细胞周期蛋白(Cy)之间的复合物并抑制其活性的化合物被认为是有前途的抗肿瘤药物,可补充现有疗法。扩展了吡唑并[4,3- h ]喹唑啉化学类别,使其面向三个可变点的发展,从而导致了一系列能够在体外和体内抑制CDK的化合物。从CDK选择性但难溶的打击化合物1开始,我们成功地获得了几种对CDKs和肿瘤细胞均显示出增强抑制活性并显示出改善的物理性质和药代动力学行为的化合物。我们的研究导致将化合物59鉴定为高效,口服生物利用的CDK抑制剂,该化合物在A2780卵巢癌异种移植模型上显示出显着的体内功效。化合物59对癌细胞系的作用机理及其在体内抑制肿瘤生长的能力使该化合物作为潜在的抗肿瘤药非常有趣。
    DOI:
    10.1021/jm901710h
  • 作为产物:
    描述:
    4-氧代哌啶酮盐酸盐4-甲基哌嗪-1-甲酰氯盐酸盐三乙胺盐酸 作用下, 以 二氯甲烷1,4-二氧六环乙醚乙醇 为溶剂, 反应 3.0h, 以50%的产率得到1-(4-methyl-piperazine-1-carbonyl)piperidin-4-one hydrochloride
    参考文献:
    名称:
    [EN] PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
    [FR] DERIVES DE PYRAZOLO-QUINAZOLINE, PROCEDE DE PREPARATION ASSOCIE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE KINASE
    摘要:
    公开了配方(Ia)或(Ib)中定义的吡唑喹唑啉衍生物及其药用盐,其制备方法以及包含它们的药物组合物;本发明的化合物可能在治疗中对与异常蛋白激酶活性相关的疾病,如癌症,具有用处。
    公开号:
    WO2004104007A1
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文献信息

  • Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors
    申请人:Traquandi Gabriella
    公开号:US20090124605A1
    公开(公告)日:2009-05-14
    Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.
    本发明公开了式(Ia)或(Ib)的吡唑喹唑啉衍生物及其药学上可接受的盐,以及其制备方法和包含它们的制药组合物;本发明的化合物在治疗与蛋白激酶活性失调有关的疾病,如癌症中可能有用。
  • Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors
    申请人:Traquandi Gabriella
    公开号:US20070185143A1
    公开(公告)日:2007-08-09
    Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention maybe useful in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer”.
    本发明公开了公式(Ia)或(Ib)中定义的吡唑并[3,4-d]喹唑啉衍生物及其药学上可接受的盐,其制备方法和包含它们的制药组合物;本发明中的化合物可能在治疗中有用,用于治疗与蛋白激酶活性失调有关的疾病,如癌症。
  • PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
    申请人:Traquandi Gabriella
    公开号:US20130338148A1
    公开(公告)日:2013-12-19
    Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.
    本发明揭示了式(Ia)或(Ib)的吡唑并喹唑啉衍生物及其药学上可接受的盐,以及它们的制备方法和包含它们的制药组合物;本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病,如癌症方面有用。
  • Pyrazolo quinazoline derivatives, process for their preparation and their use as kinase inhibitors
    申请人:Traquandi Gabriella
    公开号:US08541429B2
    公开(公告)日:2013-09-24
    Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.
    本发明公开了式(Ia)或(Ib)的吡唑喹唑啉衍生物及其药学上可接受的盐,以及其制备方法和包含它们的药物组合物;本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病,如癌症方面有用。
  • PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
    申请人:Pharmacia Italia S.p.A.
    公开号:EP1636236A1
    公开(公告)日:2006-03-22
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