N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-fluorobenzamide citrate | 1418214-66-0

• 分子结构分类: 有机化合物
• 英文名称: N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-fluorobenzamide citrate
• 英文别名: N-[1-[2-(azepan-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-4-fluorobenzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
• CAS: 1418214-66-0
• 化学式: C₆H₈O₇*C₂₀H₂₃FN₆O
• 分子量: 574.566
• InChiKey: SJKFOWSWCIISEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  208
• 氢给体数：
  5
• 氢受体数：
  13

文献信息

• [EN] PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS<br/>[FR] COMPOSÉS DE PYRAZOLO[3,4-D]PYRIMIDINE, LEUR PRÉPARATION ET UTILISATION EN TANT QUE LIGANDS SIGMA
  申请人：ESTEVE LABOR DR

  公开号：WO2013010950A1

  公开（公告）日：2013-01-24

  The present invention relates to new pyrazolo[3,4-d]pyrimidine compounds having a great affinity for sigma receptors, especially sigma-1 receptors as well as to the process for the preparation thereof, to composition comprising them and to their use as medicaments.

  本发明涉及具有对σ受体，特别是σ-1受体具有很强亲和力的新吡唑[3,4-d]嘧啶化合物，以及其制备过程、包含它们的组合物和作为药物的用途。
• Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands
  申请人：Laboratorios del. Dr. Esteve, S.A.

  公开号：EP2548878A1

  公开（公告）日：2013-01-23

  The present invention relates to new pyrazolo[3,4-d]pyrimidine compounds having a great affinity for sigma receptors, especially sigma-1 receptors as well as to the process for the preparation thereof, to composition comprising them and to their use as medicaments.

  本发明涉及具有对σ受体，特别是σ-1受体具有很高亲和力的新吡唑并[3,4-d]嘧啶化合物，以及其制备过程、包含它们的组合物以及它们作为药物的用途。
• PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS
  申请人：Cuberes-Altisent Maria Rosa

  公开号：US20140163010A1

  公开（公告）日：2014-06-12

  New pyrazolo[3,4-d]pyrimidine compounds having a great affinity for sigma receptors, especially sigma-1 receptors, as well as to the process for preparing these compounds, to compositions comprising them and to their use as medicaments.

  新的吡唑并[3,4-d]嘧啶化合物对sigma受体具有很高的亲和力，特别是sigma-1受体，以及制备这些化合物的过程，包含它们的组合物和它们作为药物的用途。
• US9567338B2
  申请人：——

  公开号：US9567338B2

  公开（公告）日：2017-02-14