6,8-dichloro-2-(2-methyl-benzyl)-1,1-dioxo-1,4-dihydro-2H-1λ6-benzo[1,2,4]thiadiazin-3-one | 950776-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 6,8-dichloro-2-(2-methyl-benzyl)-1,1-dioxo-1,4-dihydro-2H-1λ6-benzo[1,2,4]thiadiazin-3-one
• 英文别名: 6,8-dichloro-2-[(2-methylphenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one；6,8-dichloro-2-[(2-methylphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
• CAS: 950776-15-5
• 化学式: C₁₅H₁₂Cl₂N₂O₃S
• 分子量: 371.244
• InChiKey: GSYBAZVUXORGOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME
  申请人：Seong Churlmin

  公开号：US20100035866A1

  公开（公告）日：2010-02-11

  The present invention relates to compounds of substituted-1,1-dioxo-benzo[1,2,4]thiadiazin-3-ones acting as a 5HT6 receptor antagonist, a preparation method thereof, and a pharmaceutical composition containing the same for treatment of the central nervous system disorders. The compounds of substituted-1,1-dioxo-benzo[1,2,4]thiadiazin-3-ones according to the present invention have excellent binding affinity for the 5HT6 receptor and excellent selectivity for the 5HT6 receptor over other receptors. Also, the compounds reverse a disruption of PPI by apomorphine and don't show rotatod deficit in mice. Therefore the compounds according to the present invention may be valuably used for treatment of a 5HT6 receptor relating disorders.

  本发明涉及一种替代-1,1-二氧代苯并[1,2,4]噻二嗪-3-酮化合物，其作为5HT6受体拮抗剂，以及其制备方法和含有该化合物的用于治疗中枢神经系统疾病的药物组合物。根据本发明的替代-1,1-二氧代苯并[1,2,4]噻二嗪-3-酮化合物具有出色的与5HT6受体的结合亲和力，并且对5HT6受体具有优异的选择性，而不会影响其他受体。此外，这些化合物可以逆转阿波莫啶对PPI的干扰，并且在小鼠中不显示旋转缺陷。因此，根据本发明的化合物可以有价值地用于治疗与5HT6受体相关的疾病。