8-((5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide | 1034616-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 8-((5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
• 英文别名: 8-(5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide；8-[5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
• CAS: 1034616-20-0
• 化学式: C₂₄H₂₇F₃N₈O₂
• 分子量: 516.526
• InChiKey: JKMYPJAZMANXBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  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 在 tris-(dibenzylideneacetone)dipalladium(0) 、 硼烷铵络合物 、 sodium hexamethyldisilazane 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 0.25h， 生成 8-((5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
  参考文献：
  名称：

  CN116332942

  摘要：

  公开号：

文献信息

• SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  申请人：Caruso Michele

  公开号：US20100216808A1

  公开（公告）日：2010-08-26

  Pyrazolo-quinazoline derivatives of formula (I) 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（I）中所定义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；本发明中的化合物在治疗与蛋白激酶活性失调相关的疾病，如癌症中可能有用。
• Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors
  申请人：Caruso Michele

  公开号：US08614220B2

  公开（公告）日：2013-12-24

  Pyrazolo-quinazoline derivatives of formula (I) 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（I）中定义的吡唑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；本发明中的化合物可能在治疗与蛋白激酶活性失调有关的疾病（如癌症）中有用。
• WO2008/74788
  申请人：——

  公开号：——

  公开（公告）日：——
• 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors
  作者：Italo Beria、Barbara Valsasina、Maria Gabriella Brasca、Walter Ceccarelli、Maristella Colombo、Sabrina Cribioli、Gabriele Fachin、Ronald D. Ferguson、Francesco Fiorentini、Laura M. Gianellini、Maria L. Giorgini、Jurgen K. Moll、Helena Posteri、Daniele Pezzetta、Fulvia Roletto、Francesco Sola、Dania Tesei、Michele Caruso

  DOI：10.1016/j.bmcl.2010.09.060

  日期：2010.11

  A series of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives was optimized as Polo-like kinase 1 inhibitors. Extensive SAR afforded a highly potent and selective PLK1 compound. The compound showed good antiproliferative activity when tested in a panel of tumor cell lines with PLK1 related mechanism of action and with good in vivo antitumor efficacy in two xenograft models after iv administration. (C) 2010 Elsevier Ltd. All rights reserved.
• US8614220B2
  申请人：——

  公开号：US8614220B2

  公开（公告）日：2013-12-24