3,5,6,13-Tetrazatricyclo[7.4.0.01,5]trideca-6,8,10,12-tetraene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3,5,6,13-Tetrazatricyclo[7.4.0.01,5]trideca-6,8,10,12-tetraene
• 英文别名: 3,5,6,13-tetrazatricyclo[7.4.0.01,5]trideca-6,8,10,12-tetraene
• 化学式: C₉H₁₀N₄
• 分子量: 174.2
• InChiKey: UXDVYZSQLFMPAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A<br/>[FR] NOUVEAUX COMPOSÉS INHIBITEURS DE LA PHOSPHODIESTÉRASE DE TYPE 10A
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014140184A1

  公开（公告）日：2014-09-18

  The present invention relates to compounds of the formula (I), the N-oxides, tautomers, the prodrugs and the pharmaceutically acceptable salts thereof. In formula I the variables Het, A, X, Y, Z, R1, R2, R3, R4, R5 and Q 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. Thus, the invention also relates to the use of the compounds of the formula I, the N-oxides, tautomers, the prodrugs and the pharmaceutically acceptable salts thereof 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.

  本发明涉及通式(I)的化合物、其N-氧化物、互变异构体、前药及其药学上可接受的盐。在式I中，变量Het、A、X、Y、Z、R1、R2、R3、R4、R5和Q如权利要求中所定义。通式I的化合物、其N-氧化物、互变异构体、前药及其药学上可接受的盐是磷酸二酯酶10A的抑制剂。因此，本发明还涉及通式I的化合物、其N-氧化物、互变异构体、前药及其药学上可接受的盐用于制备药物的用途，这些药物适用于治疗或控制选自神经性疾病和精神性疾病的医疗病症，以改善与这些病症相关的症状，并降低这些病症的风险。
• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：ABBVIE INC.

  公开号：US20140148461A1

  公开（公告）日：2014-05-29

  The present invention relates to compounds of the formula I and their salts etc. which 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. wherein Y 1 and Y 2 are adjacent atoms in Het 1 , which are independently selected from the group consisting of carbon and nitrogen; k is 0, 1, 2 or 3; Het 1 is a bivalent monocyclic 5- or 6-membered heteroaromatic radical, having 1, 2 or 3 heteroatoms or heteroatom moieties selected from O, S, N and N—R a as ring members, or a bivalent fused bicyclic 8-, 9- or 10-membered heteroaromatic radical, having 1, 2, 3 or 4 heteroatoms or heteroatom moieties selected from O, S, N and N—R a as ring members; Het 2 is inter alia monocyclic 5- or 6-membered hetaryl, having 1, 2 or 3 heteroatoms or heteroatom moieties selected from O, S, N and N—R 1a as ring members, Cyc is inter alia optionally substituted monocyclic 5- or 6-membered hetaryl or optionally substituted fused 8-, 9- or 10-membered bicyclic hetaryl; Ar is optionally substituted phenylene or optionally substituted bivalent 6-membered hetaryl; R is attached to a carbon atom of Het 1 and inter alia-halogen, C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 1 -C 6 -alkoxy, C 1 -C 6 -fluoroalkyl, C 1 -C 6 -fluoroalkoxy, C 3 -C 6 -cycloalkyl etc.

  该发明涉及公式I的化合物及其盐等，这些化合物是磷酸二酯酶10A的抑制剂，用于制造药物，并因此适用于治疗或控制神经疾病和精神疾病等医学疾病，改善与这些疾病相关的症状，并降低这些疾病的风险。 其中Y1和Y2是Het1中相邻的原子，独立地选自由碳和氮组成的群；k为0、1、2或3；Het1是双价的单环5-或6-成员杂芳基，具有1、2或3个杂原子或杂原子基，选自O、S、N和N—Ra作为环成员，或者是双价的融合的8、9或10-成员杂芳基，具有1、2、3或4个杂原子或杂原子基，选自O、S、N和N—Ra作为环成员；Het2是单环5-或6-成员杂芳基，具有1、2或3个杂原子或杂原子基，选自O、S、N和N—R1a作为环成员，Cyc是可选取代的单环5-或6-成员杂芳基或可选取代的融合的8、9或10-成员双环杂芳基；Ar是可选取代的苯基或可选取代的双价6-成员杂芳基；R连接到Het1的碳原子上，包括卤素、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、C1-C6-烷氧基、C1-C6-氟烷基、C1-C6-氟烷氧基、C3-C6-环烷基等。
• [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。
• [EN] INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A<br/>[FR] COMPOSÉS INHIBITEURS DE LA PHOSPHODIESTÉRASE DE TYPE A10
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014027078A1

  公开（公告）日：2014-02-20

  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 R1, R2, R3, R4 and R5 are as defined in the claims and where X is C-R6 or N,Y is C-R7 or N, where R6 and R7 are, inter alia, hydrogen, halogen, alkoxy, haloalkoxy and the like. 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，其中在公式I中，变量R1，R2，R3，R4和R5如权利要求所定义，并且其中X是C-R6或N，Y是C-R7或N，其中R6和R7是氢，卤素，烷氧基，卤代烷氧基等。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是磷酸二酯酶10A的抑制剂，适用于制造药物，因此适用于治疗或控制神经系统疾病和精神障碍，改善与此类疾病相关的症状并降低此类疾病的风险。
• INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：AbbVie Deutschland GmbH & Co KG

  公开号：EP2885299A1

  公开（公告）日：2015-06-24