ethyl 2-((1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-((1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetate
• 英文别名: Ethyl 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-6-YL]sulfanyl}acetate；ethyl 2-[[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate
• 化学式: C₁₅H₁₃FN₄O₃S
• mdl: MFCD04456504
• 分子量: 348.358
• InChiKey: JHTNAVFKTLXANK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-((1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetate 在 2-氯-1-甲基吡啶碘化物 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 N-(5-bromo-1,3,4-thiadiazol-2-yl)-2-((1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
  参考文献：
  名称：

  EP3892622

  摘要：

  公开号：
• 作为产物：
  描述：

  6-chloro-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyridin-4-one 、 巯基乙酸乙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以81%的产率得到ethyl 2-((1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetate
  参考文献：
  名称：

  EP3892622

  摘要：

  公开号：

文献信息

• COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP3892622A1

  公开（公告）日：2021-10-13

  The present invention provides a compound having a specific chemical structure and having PDE9A inhibitory activity, or a pharmaceutically acceptable salt thereof. The present invention provides a composition containing the compound or a pharmaceutically acceptable salt thereof. The present invention provides a pharmaceutical use, for treating or preventing PDE9A-related diseases, of the compound according to the present invention, a salt thereof, and a composition containing the compound or salt. The present invention also provides a method for treating or preventing PDE9A-related diseases, the method comprising administering an effective amount of the compound according to the present invention, a salt thereof, or a composition containing the compound or salt to a subject in need of treatment.

  本发明提供了一种具有特定化学结构并具有 PDE9A 抑制活性的化合物或其药学上可接受的盐。本发明提供了一种含有该化合物或其药学上可接受的盐的组合物。本发明提供了根据本发明的化合物、其盐和含有该化合物或盐的组合物的药物用途，用于治疗或预防 PDE9A 相关疾病。本发明还提供了一种治疗或预防PDE9A相关疾病的方法，该方法包括向需要治疗的受试者施用有效量的根据本发明的化合物、其盐或含有该化合物或盐的组合物。
• [EN] COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF<br/>[FR] COMPOSÉS AYANT UNE ACTIVITÉ INHIBITRICE DE PDE9A ET LEURS UTILISATIONS PHARMACEUTIQUES<br/>[KO] PDE9A 저해 활성을 가지는 화합물 및 이들의 의약 용도
  申请人：KOREA RES INST CHEMICAL TECH

  公开号：WO2020116972A1

  公开（公告）日：2020-06-11

  본 발명은 PDE 9A를 저해하는 활성을 갖는 특정 화학구조의 화합물 또는 이의 약학적으로 허용 가능한 염을 제공한다. 본 발명은 이러한 화합물 또는 이의 약학적으로 허용 가능한 염을 포함하는 조성물을 제공한다. 본 발명은 본 발명에 따른 화합물, 이의 염 및 이들을 포함하는 조성물의 PDE 9A 관련 질환의 치료 또는 예방용 의약 용도를 제공한다. 본 발명은 또한 본 발명에 따른 화합물, 이의 염 또는 이들을 포함하는 조성물의 유효한 양을 치료가 필요한 개체에게 투여하는 것을 포함하는 PDE 9A 관련 질환의 치료 또는 예방 방법을 제공한다.