2-(2-fluoro-4-nitrophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(2H)-carbonitrile | 1428738-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2-fluoro-4-nitrophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(2H)-carbonitrile
• 英文别名: 2-(2-Fluoro-4-nitrophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonitrile
• CAS: 1428738-21-9
• 化学式: C₁₂H₈FN₅O₂
• 分子量: 273.226
• InChiKey: WSDPPSIWZOLZOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-fluoro-4-nitrophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(2H)-carbonitrile 在 盐酸 、 sodium azide 、 铁粉 、 氯化铵 、 三乙胺 、 sodium hydroxide 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 92.75h， 生成 (R)-3-(3-fluoro-4-(5-(2-methyl-2H-tetrazol-5-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-2(4H)-yl)phenyl)-5-(hydroxylmethyl)oxazolidin-2-one
  参考文献：
  名称：

  FUSED RING-CONTAINING OXAZOLIDINONES ANTIBIOTICS

  摘要：

  本发明涉及一种含有融合环氧唑啉酮化合物的一般式(I)所示的化合物，其药学上可接受的盐及其立体异构体，其中R1、R2、R3、R4、R5、R6、A、B和C如描述中所定义。本发明还涉及一种制备该化合物的方法，包括该化合物的药物组合物和药物配方，以及该化合物用于制造治疗和/或预防传染病的药物和用于治疗和/或预防传染病的用途。

  公开号：

  US20140243288A1

文献信息

• 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.
• US9487545B2
  申请人：——

  公开号：US9487545B2

  公开（公告）日：2016-11-08
• [EN] 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER<br/>[FR] DÉRIVÉS DE 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE POUR LE TRAITEMENT DU CANCER
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2017158381A1

  公开（公告）日：2017-09-21

  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 R1a, R1b, R1c and R1d each independently represent hydrogen, optionally substituted C1-C6 alkyl or R1a and R1b together form an optionally substituted C3-C6 cycloalkyl ring, or R1c and R1d together form an optionally substituted C3-C6 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.