3-[(4-tert-butylbenzamido)-5-pyrimidin-2-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(4-tert-butylbenzamido)-5-pyrimidin-2-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole
• 英文别名: 4-tert-butyl-N-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzamide
• 化学式: C₂₀H₂₂N₆O
• 分子量: 362.434
• InChiKey: OILVWEUYAPIBDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯嘧啶 、 3-(4-tert-butylbenzamido)-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole 在 potassium carbonate 作用下， 以 甲醇 、 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 9.0h， 以50%的产率得到3-[(4-tert-butylbenzamido)-5-pyrimidin-2-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole
  参考文献：
  名称：

  [EN] BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  [FR] DERIVES DE BICYCLO-PYRAZOL AYANT UNE ACTION INHIBITRICE CONTRE LA KINASE, PROCEDES DE PREPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  揭示了属于吡咯吡唑衍生物和其药用可接受盐的化合物，以及它们的制备方法和药物组合物；这些化合物或组合物在治疗由改变的蛋白激酶活性引起和/或相关的疾病方面具有用途，如癌症、细胞增殖紊乱、阿尔茨海默病、病毒感染、自身免疫疾病和神经退行性疾病。

  公开号：

  WO2004080457A1

文献信息

• Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them
  申请人：Abrate Francesca

  公开号：US20070037790A1

  公开（公告）日：2007-02-15

  Compounds which are pyrrolo-pyrazole derivatives and pharmaceutically acceptable salts thereof, together with the process for their preparation and pharmaceutical compositions thereof are disclosed; these compounds or compositions are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, Alzheimer's disease, viral infections, auto-immune diseases and neurodegenerative disorders.

  本发明公开了吡咯-吡唑衍生物及其药学上可接受的盐，以及其制备方法和制药组合物；这些化合物或组合物在治疗由于和/或与蛋白激酶活性改变有关的疾病方面是有用的，例如癌症、细胞增殖性疾病、阿尔茨海默病、病毒感染、自身免疫性疾病和神经退行性疾病。
• [EN] BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM<br/>[FR] DERIVES DE BICYCLO-PYRAZOL AYANT UNE ACTION INHIBITRICE CONTRE LA KINASE, PROCEDES DE PREPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2004080457A1

  公开（公告）日：2004-09-23

  Compounds which are pyrrolo-pyrazole derivatives and pharmaceutically acceptable salts thereof, together with the process for their preparation and pharmaceutical compositions thereof are disclosed; these compounds or compositions are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, Alzheimer's disease, viral infections, auto-immune diseases and neurodegenerative disorders.

  揭示了属于吡咯吡唑衍生物和其药用可接受盐的化合物，以及它们的制备方法和药物组合物；这些化合物或组合物在治疗由改变的蛋白激酶活性引起和/或相关的疾病方面具有用途，如癌症、细胞增殖紊乱、阿尔茨海默病、病毒感染、自身免疫疾病和神经退行性疾病。