5-硝基-1-(苯基磺酰基)-1H-吡咯并[2,3-B]吡啶-3-羧酸甲酯 | 858340-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-硝基-1-(苯基磺酰基)-1H-吡咯并[2,3-B]吡啶-3-羧酸甲酯
• 英文名称: methyl 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
• 英文别名: methyl 1-(benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridine-3-carboxylate
• CAS: 858340-91-7
• 化学式: C₁₅H₁₁N₃O₆S
• 分子量: 361.335
• InChiKey: FPYPFZYYLWIUGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  5-硝基-1-(苯基磺酰基)-1H-吡咯并[2,3-B]吡啶-3-羧酸甲酯 在 sodium hydroxide 作用下， 以 2,2,2-三氟乙醇 、 水 为溶剂， 反应 18.66h， 以93.1%的产率得到disodium 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
  参考文献：
  名称：

  [EN] PYRROLO[2,3-b]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  [FR] DERIVES PYRROLO[2,3-B]PYRIDINE AGISSANT COMME INHIBITEURS DES KINASES, PROCEDE POUR LEUR ELABORATION, ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT

  摘要：

  本发明揭示了一种吡咯并[2,3-b]吡啶衍生物或其药学上可接受的盐，其制备过程和包含它们的制药组合物；这些化合物在治疗由改变的蛋白激酶活性引起和/或与之相关的疾病方面具有用处，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；本发明还揭示了一种在SPS条件下制备本发明化合物的方法和包含多种化合物的化学文库。

  公开号：

  WO2005063746A1
• 作为产物：
  描述：

  1-苯磺基-1H-吡咯并[2,3-B]吡啶-3-甲酸甲基酯 在 四丁基硝酸铵 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 以74.7%的产率得到5-硝基-1-(苯基磺酰基)-1H-吡咯并[2,3-B]吡啶-3-羧酸甲酯
  参考文献：
  名称：

  [EN] PYRROLO[2,3-b] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION COMPRISING THEM
  [FR] DERIVES PYRROLO[2,3-B]PYRIDINE AGISSANT COMME INHIBITEURS DES KINASES, PROCEDE POUR LEUR ELABORATION, ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT

  摘要：

  本发明揭示了属于吡咯并[2,3-b]吡啶衍生物或其药用可接受盐的化合物，以及它们的制备过程和包含它们的药物组合物；这些化合物对治疗由蛋白激酶活性改变引起和/或相关的疾病具有用处，如癌症、细胞增殖异常、阿尔茨海默病、病毒感染、自身免疫疾病和神经退行性疾病；还揭示了一种在SPS条件下制备本发明化合物的方法，以及包含多种这些化合物的化学文库。

  公开号：

  WO2005063747A1

文献信息

• Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them
  申请人：Salom Barbara

  公开号：US20050256151A1

  公开（公告）日：2005-11-17

  Compounds which are pyrrolo[2,3-b]pyridine derivatives or pharmaceutically acceptable salts thereof, their preparation process and pharmaceutical compositions comprising them are disclosed; these compounds 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; also disclosed is a process under SPS conditions for preparing the compounds of the invention and chemical libraries comprising a plurality of them.

  本发明公开了一种吡咯并[2,3-b]吡啶衍生物或其药学上可接受的盐，以及它们的制备方法和包含它们的药物组合物；这些化合物对治疗由改变蛋白激酶活性引起和/或与之相关的疾病如癌症、细胞增殖性疾病、阿尔茨海默病、病毒感染、自身免疫疾病和神经退行性疾病非常有用；本发明还公开了一种在SPS条件下制备本发明化合物和包含多种化合物的化学库的方法。
• PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS
  申请人：Salom Barbara

  公开号：US20110136857A1

  公开（公告）日：2011-06-09

  Compounds which are pyrrolo[2,3-b]pyridine derivatives or pharmaceutically acceptable salts thereof, their preparation process and pharmaceutical compositions comprising them are disclosed; these compounds 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; also disclosed is a process under SPS conditions for preparing the compounds of the invention and chemical libraries comprising a plurality of them.

  本发明公开了吡咯并[2,3-b]吡啶衍生物化合物或其药学上可接受的盐、其制备方法以及包含它们的制药组合物；这些化合物可用于治疗由改变的蛋白激酶活性引起和/或相关的疾病，如癌症、细胞增殖性疾病、阿尔茨海默病、病毒感染、自身免疫疾病和神经退行性疾病；本发明还公开了一种在SPS条件下制备本发明化合物以及包含多种化合物的化学文库的方法。
• PYRROLO[2,3-b] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION COMPRISING THEM
  申请人：Pfizer Italia S.r.l.

  公开号：EP1704147A1

  公开（公告）日：2006-09-27
• PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  申请人：Pfizer Italia S.r.l.

  公开号：EP1701956B1

  公开（公告）日：2010-02-24
• Pyrrolo[2,3-b]Pyridine Derivatives Active as Kinase Inhibitors and Pharmaceutical Compositions Comprising Them
  申请人：Salom Barbara

  公开号：US20100210476A1

  公开（公告）日：2010-08-19

  Compounds which are pyrrolo[2,3-b]pyridine derivatives or pharmaceutically acceptable salts thereof, their preparation process and pharmaceutical compositions comprising them are disclosed; these compounds 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; also disclosed is a process under SPS conditions for preparing the compounds of the invention and chemical libraries comprising a plurality of them.