3,5-Dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methylpyridin-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3,5-Dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methylpyridin-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
• 英文别名: 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methylpyridin-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
• 化学式: C35H45ClN12O
• 分子量: 685.3
• InChiKey: QFCQBKPIKLTVRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• [EN] SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS|SIGMA RECEPTORS LIGANDS<br/>[FR] COMPOSÉS DE PYRAZOLO[3,4-D]PYRIMIDINE SUBSTITUÉS, LEUR PRÉPARATION ET LEUR UTILISATION COMME LIGANDS DES RÉCEPTEURS SIGMA
  申请人：ESTEVE LABOR DR

  公开号：WO2014076170A1

  公开（公告）日：2014-05-22

  The present invention relates to new substituted pyrazolo[3,4- d]pyrimidine compounds of general formula (I) having a great affinity for sigma receptors, especially sigma-1 receptor, as well as to the process for the preparation thereof, to compositions comprising them and to their use as medicaments for the treatment of i.a. pain. n is selected from 1, 2, 3 or 4; R1 represents a carbon-linked optionally substituted aryl or heteroaryl radical; R2 and R3 independently represent a hydrogen atom, an optionally substituted aliphatic, cycloalkyl, cycloalkylalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocyclyl or heterocyclylalkyl radical, or R2 and R3 together with the bridging nitrogen form an optionally substituted heterocycloalkyl or heteroaryl radical.

  本发明涉及具有通式(I)的新取代吡唑并[3,4-d]嘧啶化合物，其对sigma受体，特别是sigma-1受体具有高亲和力，以及涉及其制备方法、包含它们的组合物以及它们作为药物用于治疗疼痛等疾病的用途。n选自1、2、3或4；R1代表碳连接的可选取代的芳基或杂芳基基团；R2和R3独立地代表氢原子、可选取代的脂肪族、环烷基、环烷基烷基、芳基、芳基烷基、杂芳基、杂芳基烷基、杂环基或杂环基烷基基团，或者R2和R3与桥接的氮原子一起形成可选取代的杂环烷基或杂芳基基团。
• SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA RECEPTORS LIGANDS
  申请人：Laboratorios del Dr. Esteve, S.A.

  公开号：EP2920174A1

  公开（公告）日：2015-09-23