1-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)ethanone | 1343677-86-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)ethanone
• 英文别名: 1-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)ethan-1-one；1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanone
• CAS: 1343677-86-0
• 化学式: C₇H₇F₃N₂O
• 分子量: 192.141
• InChiKey: DLCXGHUMNCIWRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)ethanone 在 lithium hydroxide monohydrate 、 水 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 生成 N-(4-benzyl-5-(4-hydroxy-4-((7-(3-(4-methylpiperazin-1-yl)propanamido)-4-oxoquinazolin-3(4H)-yl)methyl)piperidin-1-yl)-5-oxopentyl)-4-chloro-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)quinoline-7-carboxamide
  参考文献：
  名称：

  [EN] INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7)
  [FR] INHIBITEURS CIBLANT LA PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE 7 (USP7)

  摘要：

  Disclosed herein are inhibitors of deubiquitinating (DUB) enzyme USP7 (Ubiquitin Specific Protease 7). Also provided are methods of treating a disease or disorder modulated by USP7.

  公开号：

  WO2023003973A1
• 作为产物：
  描述：

  2,2,2-三氟乙基 对甲苯磺酸酯 、 4-乙酰基吡唑 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以82.6 %的产率得到1-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)ethanone
  参考文献：
  名称：

  [EN] INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7)
  [FR] INHIBITEURS CIBLANT LA PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE 7 (USP7)

  摘要：

  Disclosed herein are inhibitors of deubiquitinating (DUB) enzyme USP7 (Ubiquitin Specific Protease 7). Also provided are methods of treating a disease or disorder modulated by USP7.

  公开号：

  WO2023003973A1

文献信息

• 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3302484A1

  公开（公告）日：2018-04-11
• [EN] 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE UTILISÉS COMME INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2016196071A1

  公开（公告）日：2016-12-08

  The present invention is directed to 6-alkyl dihydropyrazolopyrimidinone compounds of formula (I) which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.
• [EN] 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS 6-ALKYLE DIHYDROPYRAZOLOPYRIMIDINONE UTILISÉS EN TANT QU'INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2016191935A1

  公开（公告）日：2016-12-08

  The present invention is directed to 6-alkyl dihydropyrazolopyrimidinone compounds of formula (I) which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.