12-Bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methylpyridin-4-yl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methylpyridin-3-yl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并[1,5-a]吡嗪
• 英文名称: 12-Bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methylpyridin-4-yl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methylpyridin-3-yl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
• 英文别名: 12-bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methylpyridin-4-yl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methylpyridin-3-yl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
• 化学式: C39H33BrN14S3
• 分子量: 873.9
• InChiKey: JPWHZWXQWKFDNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.37
• 重原子数：
  57
• 可旋转键数：
  2
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  240
• 氢给体数：
  0
• 氢受体数：
  14

文献信息

• [EN] NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A<br/>[FR] NOUVEAUX COMPOSÉS INHIBITEURS DE PHOSPHODIESTÉRASE DE TYPE 10A
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2014041175A1

  公开（公告）日：2014-03-20

  The present invention relates to compounds of the formula I, the N-oxides, tautomers, the prodrugs and the pharmaceutically acceptable salts thereof. where in formula I the variables X, Y, Q1, Q2 have the following meanings: X is C-R3 or N; Q1 is S or O and Q2 is C-R4 or N and Q2 is connected to X via a double bond while Q1 is connected to X via a single bond; or Q2 is S or O and Q1 is C-R4 or N and Q1 is connected to X via a double bond while Q2 is connected to X via a single bond; Y is C-R5 or N; where in formula I the variables R1, R2, R3, R4 and R5 are as defined in the claims The compounds of the formula I, the N-oxides, tautomers, the prodrugs and the pharmaceutically acceptable salts thereof are inhibitors of phosphodiesterase type 10A and to their use for the manufacture of a medicament and which thus are suitable for treating or controlling of medical disorders selected from neurological disorders and psychiatric disorders, for ameliorating the symptoms associated with such disorders and for reducing the risk of such disorders.

  本发明涉及公式I的化合物，其N-氧化物、互变异构体、前药和其药学上可接受的盐。在公式I中，变量X、Y、Q1、Q2具有以下含义：X为C-R3或N；Q1为S或O，Q2为C-R4或N，Q2通过双键与X连接，而Q1通过单键与X连接；或者Q2为S或O，Q1为C-R4或N，Q1通过双键与X连接，而Q2通过单键与X连接；Y为C-R5或N；在公式I中，变量R1、R2、R3、R4和R5的定义如索权中所述。公式I的化合物、N-氧化物、互变异构体、前药和其药学上可接受的盐是磷酸二酯酶10A的抑制剂，用于制备药物，并因此适用于治疗或控制神经系统疾病和精神疾病，缓解与这些疾病相关的症状，并降低这些疾病的风险。
• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：EP2895489A1

  公开（公告）日：2015-07-22