1-[3-(benzenesulfonyl)-7-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl]-N-methylmethanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 1-[3-(benzenesulfonyl)-7-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl]-N-methylmethanamine
• 化学式: C₁₆H₁₈N₄O₂S₂
• 分子量: 362.5
• InChiKey: YKPXDXDBSKSZFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOFAND METHODS FOR THE PRODUCTION AND USE THEREOF
  申请人：Alla Chem, LLC.

  公开号：EP3020719A1

  公开（公告）日：2016-05-18

  The invention relates to the novel substituted 3-arylsulfonyl-pyrazolo[1,5-a]pyrimidines of the general formula 1, pharmaceutically acceptable salts and/or hydrates thereof, serotonin 5-HT6 receptor antagonists and pharmaceutical compositions, and also to method for prophylaxis and treatment of various diseases of central nervous system at humans and warm-blooded animals pathogenesis of which is associated with serotonin 5-HT6 receptors, in particular, Alzheimer's disease, Parkinson's disease, Huntington's disease, schizophrenia, and other neurodegenerative diseases, cognitive disorders and obesity. In the general formula 1: wherein: X = S, SO or NH; R1 represents hydrogen, optionally substituted C1-C3alkyl, cycloalkyl, adamantyl, aryl or heterocyclyl; R2 represents hydrogen, halogen, optionally substituted C1-C3alkyl, substituted hydroxyl, aryldiazenyl or optionally substituted amino group; R3 represents hydrogen, optionally substituted C1-C3alkyl, substituted hydroxyl, pyridyl or optionally substituted amino group, besides, in cases when X = S or X = NH, at least one of R1, R2 or R3 represent substituted C1-C3alkyl, cycloalkyl, adamantyl, aryl, heterocyclyl, halogen, substituted hydroxyl, optionally substituted amino group, aryldiazenyl, or at least two of R1, R2 or R3 represent hydrogen; R4 represents C1-C3alkyl; R5 represents hydrogen, one or two halogens, C1-C3alkyl or optionally substituted hydroxyl.

  本发明涉及通式 1 的新型取代 3-芳磺酰基吡唑并[1,5-a]嘧啶、其药学上可接受的盐和/或水合物、5-羟色胺 5-HT6 受体拮抗剂和药物组合物、以及预防和治疗人类和温血动物中枢神经系统各种疾病的方法，这些疾病的发病机制与血清素 5-HT6 受体有关，特别是阿尔茨海默病、帕金森病、亨廷顿病、精神分裂症和其他神经退行性疾病、认知障碍和肥胖症。 在通式 1： 其中 X = S、SO 或 NH； R1 代表氢、任选取代的 C1-C3 烷基、环烷基、金刚烷基、芳基或杂环基； R2 代表氢、卤素、任选取代的 C1-C3 烷基、取代的羟基、芳基二氮基或任选取代的氨基； R3 代表氢、任选取代的 C1-C3 烷基、取代的羟基、吡啶基或任选取代的氨基，此外，在 X = S 或 X = NH 的情况下，R1、R2 或 R3 中至少有一个代表取代的 C1-C3 烷基、环烷基、金刚烷基、芳基、杂环基、卤素、取代的羟基、任选取代的氨基、芳基二氮基，或 R1、R2 或 R3 中至少有两个代表氢； R4 代表 C1-C3 烷基； R5 代表氢、一个或两个卤素、C1-C3 烷基或任选取代的羟基。