5-methyl-2-methylsulfanyl-3-(3-chlorophenylsulfonyl)-6,7,8,9-tetrahydrocyclohexa[e]pyrazolo[1,5-a]pyrimidine | 1172996-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 5-methyl-2-methylsulfanyl-3-(3-chlorophenylsulfonyl)-6,7,8,9-tetrahydrocyclohexa[e]pyrazolo[1,5-a]pyrimidine
• 英文别名: 3-(3-Chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
• CAS: 1172996-26-7
• 化学式: C₁₈H₁₈ClN₃O₂S₂
• 分子量: 407.945
• InChiKey: HYGRKBDLJYLZMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• SUBSTITUTED CYCLOALCANO[e AND d] PYRAZOLO [1,5-a] PYRIMIDINES/ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS AND METHODS FOR PRODUCTION AND THE USE THEREOF
  申请人：Alla Chem, LLC.

  公开号：EP2248814A2

  公开（公告）日：2010-11-10

  The invention relates to substituted 2-alkylsulfanyl-3-(arylsulfonyl)-cycloalkyl[e and d]pyrazolo[1,5-a]pyrimidines, to serotonin 5-HT6 receptor antagonists, to novel drug substances and pharmaceutical compositions, comprising the said conpounds as active ingredients, to novel medicaments and methods for treatment and prophylaxis of CNS diseases of humans and warm blooded animals pathogenesis of which is associated with 5-HT6 receptors. In general formulas 1 and 2 R1 represents hydrogen or C1-C3 alkyl; R2 represents C1-C3 alkyl; R3 represents hydrogen, one or more optionally identical halogens, C1-C3 alkyl or hydroxyl optionally substituted with C1-C3 alkyl; n represents the whole numbers 1, 2 or 3.

  本发明涉及取代的 2-烷基硫酰基-3-(芳基磺酰基)-环烷基[e 和 d]吡唑并[1,5-a]嘧啶、5-羟色胺 5-HT6 受体拮抗剂、包含上述化合物作为活性成分的新型药物物质和药物组合物、用于治疗和预防人类和温血动物中枢神经系统疾病的新型药物和方法，这些疾病的发病机制与 5-HT6 受体有关。 通式 1 和 2 R1 代表氢或 C1-C3 烷基；R2 代表 C1-C3 烷基；R3 代表氢、一个或多个任选相同的卤素、C1-C3 烷基或任选被 C1-C3 烷基取代的羟基；n 代表整数 1、2 或 3。
• SUBSTITUTED CYCLOALCANO[e AND d] PYRAZOLO [1,5-a]PYRIMIDINES/ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS AND METHODS FOR PRODUCTION AND THE USE THEREOF
  申请人：Ivashchenko Andrey Alexandrovich

  公开号：US20110059997A1

  公开（公告）日：2011-03-10

  The invention relates to substituted 2-alkylsulfanyl-3-(arylsulfonyl)-cycloalkyl[e and d]pyrazolo[1,5-a]pyrimidines, to serotonin 5-HT6 receptor antagonists, to novel drug substances and pharmaceutical compositions, comprising the said conpounds as active ingredients, to novel medicaments and methods for treatment and prophylaxis of CNS diseases of humans and warm blooded animals pathogenesis of which is associated with 5-HT6 receptors. In general formulas 1 and 2 R 1 represents hydrogen or C 1 -C 3 alkyl; R 2 represents C 1 -C 3 alkyl; R 3 represents hydrogen, one or more optionally identical halogens, C 1 -C 3 alkyl or hydroxyl optionally substituted with C 1 -C 3 alkyl; n represents the whole numbers 1, 2 or 3.
• US8629154B2
  申请人：——

  公开号：US8629154B2

  公开（公告）日：2014-01-14
• [EN] SUBSTITUTED CYCLOALCANO[e AND d] PYRAZOLO [1,5-a]PYRIMIDINES/ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS AND METHODS FOR PRODUCTION AND THE USE THEREOF<br/>[FR] CYCLO-ALCANO[E ET D] PYRAZOLO[1,5-A]PYRIMIDINES SUBSTITUÉES FONCTIONNANT COMME DES ANTAGONISTES DES RÉCEPTEURS 5-HT6 DE SÉROTONINE, PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：ALLA CHEM LLC

  公开号：WO2009093210A2

  公开（公告）日：2009-07-30

  Данное изобретение относится к антагонистам серотониновых 5-HT6 рецепторов - замещенным 2-aлкилcyльфaнил-3-apилcyльфoнил-циклoaлкaнo[e и d]пиpaзoлo[1,5- a]пиpимидинaм, новым лекарственным началам и фармацевтическим композициям, содержащим лекарственные начала в виде указанных соединений, а также к новым лекарственным средствам и способу лечения и предупреждения развития заболеваний ЦНС людей и теплокровных животных, патогенез которых связан с 5-HT6 рецепторами. В общих формулах 1 и 2 R1 представляет собой атом водорода или C1-C3алкил; R представляет собой C1-C3 алкил; R 2 представляет собой атом водорода, один или два необязательно одинаковых атома галогена, C1-C3 алкил или необязательно замещенный C1-C3 алкилом гидроксил; n представляет собой целое число 1, 2 или 3.