tert-butyl 3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl 3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
• 英文别名: 5-tert-butyloxycarbonyl-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole；tert-butyl 3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
• 化学式: C₁₆H₁₉N₃O₂
• 分子量: 285.346
• InChiKey: ARPJJPNUILRJGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-phenyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole trifluroacetate
  参考文献：
  名称：

  [EN] BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  [FR] BICYCLO-PYRAZOLES ACTIFS INHIBITEURS DE KINASE, PROCEDE DE PREPARATION ET COMPOSITIONS PHARMACEUTIQUES CONTENANT CEUX-CI

  摘要：

  本发明提供了一种治疗由改变的蛋白激酶活性引起和/或与之相关的疾病的方法，包括向需要治疗的哺乳动物中注射有效量的吡咯-吡唑或吡唑-氮杂七元环。本发明还提供了特定的吡咯-吡唑和吡唑-氮杂七元环，有用的中间体，包含至少两种中间体的库，制备它们的方法以及含有它们的制药组合物，这些组合物有助于治疗由改变的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，病毒感染，自身免疫性疾病和神经退行性疾病。

  公开号：

  WO2004013144A1
• 作为产物：
  描述：

  5-BOC-3-氨基-4,6-二氢吡咯并[3,4-C]吡唑-1-甲酸乙酯 在 4-二甲氨基吡啶 、 四(三苯基膦)钯 、 碘 、 potassium carbonate 、 三乙胺 、 亚硝酸异戊酯 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 4.17h， 生成 tert-butyl 3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
  参考文献：
  名称：

  [EN] 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER
  [FR] DÉRIVÉS DE 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE POUR LE TRAITEMENT DU CANCER

  摘要：

  公开号：

  WO2017158381A8

文献信息

• Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them
  申请人：Villa Manuela

  公开号：US20060135508A1

  公开（公告）日：2006-06-22

  The present invention provides a method for treating diseases caused by and/or associated with an altered protein kinase activity which comprises administering to a mammal in need thereof an effective amount of a pyrrolo-pyrazole or pyrazolo-azepine. The invention also provides specific pyrrolo-pyrazoles and pyrazolo-azepines, useful intermediates, a library comprising at least two of them, a process for their preparation and the pharmaceutical compositions containing them, which are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, viral infections, autoimmune diseases and neurodegenerative disorders.

  本发明提供了一种治疗由改变的蛋白激酶活性引起和/或相关的疾病的方法，包括向需要治疗的哺乳动物中给予有效量的吡咯-吡唑或吡唑-氮杂七环。本发明还提供了具体的吡咯-吡唑和吡唑-氮杂七环，有用的中间体，包含至少两种的库，它们的制备过程以及含有它们的制药组合物，这些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，如癌症、细胞增殖性疾病、病毒感染、自身免疫疾病和神经退行性疾病中有用。
• BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1527074A1

  公开（公告）日：2005-05-04
• 4,6 DIHYDROPYRROLO [3,4-C]PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER
  申请人：Mission Therapeutics Limited

  公开号：EP3430012A1

  公开（公告）日：2019-01-23
• 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE DERIVATIVES FOR TREATING CANCER
  申请人：Mission Therapeutics Limited

  公开号：EP3430012B1

  公开（公告）日：2021-06-16
• 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US20210221813A1

  公开（公告）日：2021-07-22

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs) and/or desumoylating enzymes. In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 7 or ubiquitin specific peptidase 7 (USP7). The invention further relates to the use of DUB or desumoylating inhibitors in the treatment of cancer. Described herein are compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1a , R 1b , R 1c and R 1d each independently represent hydrogen, optionally substituted C 1 -C 6 alkyl or R 1a and R 1b together form an optionally substituted C 3 -C 6 cycloalkyl ring, or R 1c and R 1d together form an optionally substituted C 3 -C 6 cycloalkyl ring; A is a 5 membered nitrogen-containing aromatic ring and is substituted with at least one optionally substituted 5 to 10 membered monocyclic or bicyclic heteroaryl or aryl ring attached through an optional linker.