2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)ethynyl)quinoline | 1443361-07-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)ethynyl)quinoline
• 英文别名: 2-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]quinoline
• CAS: 1443361-07-6
• 化学式: C₂₆H₁₈N₄
• 分子量: 386.456
• InChiKey: YQJGCTAJURKZFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-溴苯基)-2-吡啶-4-乙酮 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 5.16h， 生成 2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)ethynyl)quinoline
  参考文献：
  名称：

  ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF

  摘要：

  这项发明涉及新型炔基桥联的杂环芳烃，如规范中所述，这些化合物是PDE10A抑制剂，可用于治疗神经病、精神障碍、代谢性疾病，如精神分裂症、帕金森病、亨廷顿病、阿尔茨海默病、学习记忆障碍、药物成瘾（滥用）、睡眠障碍、抑郁症、肥胖症、非胰岛素依赖型糖尿病、躁郁症、强迫症或疼痛；以及它们的制备方法；包含它们的药物组合物；以及使用它们的方法。

  公开号：

  US20130158031A1

文献信息

• ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF
  申请人：CAI Zhen-Wei

  公开号：US20130158031A1

  公开（公告）日：2013-06-20

  This invention relates to novel alkyne-bridged hetero-aromatics as described in the specification which are PDE10A inhibitors and useful for the treatment of neurological, psychiatric disorder, metabolic disorders, such as Schizophrenia, Parkinson's disease, Huntington's disease, Alzheimer's disease, learning memory disorder, drug addiction (abuse), sleeping disorder, depression, obesity, non-insulin dependent diabetes, bipolar disorder, obsessive compulsive disorder, or pain; to process for their preparation; to pharmaceutical compositions comprising them; and to methods of using them.

  这项发明涉及新型炔基桥联的杂环芳烃，如规范中所述，这些化合物是PDE10A抑制剂，可用于治疗神经病、精神障碍、代谢性疾病，如精神分裂症、帕金森病、亨廷顿病、阿尔茨海默病、学习记忆障碍、药物成瘾（滥用）、睡眠障碍、抑郁症、肥胖症、非胰岛素依赖型糖尿病、躁郁症、强迫症或疼痛；以及它们的制备方法；包含它们的药物组合物；以及使用它们的方法。
• INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：AbbVie Inc.

  公开号：EP2922842B1

  公开（公告）日：2017-06-14
• COMPOSITIONS AND USES THEREOF
  申请人：BenevolentAI Cambridge Limited

  公开号：EP4103161A1

  公开（公告）日：2022-12-21
• US9790203B2
  申请人：——

  公开号：US9790203B2

  公开（公告）日：2017-10-17
• [EN] NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A<br/>[FR] NOUVEAUX COMPOSÉS INHIBITEURS DE PHOSPHODIESTÉRASE DE TYPE 10A
  申请人：ABBVIE INC

  公开号：WO2014079995A2

  公开（公告）日：2014-05-30

  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 Y1 and Y2 are adjacent atoms in Het1, which are independently selected from the group consisting of carbon and nitrogen; k is 0, 1, 2 or 3; Het1 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-Ra 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-Ra as ring members; Het2 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-R1a 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 Het1 and inter alia - halogen, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C1-C6-alkoxy, C1-C6-fluoroalkyl, C1-C6-fluoroalkoxy, C3-C6-cycloalkyl etc.