3-(aminomethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid 1,1-dimethylethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡唑类
• 英文名称: 3-(aminomethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid 1,1-dimethylethyl ester
• 英文别名: tert-butyl 3-(aminomethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate；tert-Butyl 3-(aminomethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
• 化学式: C₁₁H₁₈N₄O₂
• 分子量: 238.29
• InChiKey: VUAROUNWMIIYKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  84.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(aminomethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid 1,1-dimethylethyl ester 在 吡啶 、 氧气 、 copper diacetate 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 tert-butyl 3-[[(4-methylbenzoyl)amino]methyl]-1-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-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

• 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.
• [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.