(3,3-dimethyl-morpholin-4-yl)-[5-(3-chloro-phenylethynyl)-pyridin-2-yl]-methanone | 1600527-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (3,3-dimethyl-morpholin-4-yl)-[5-(3-chloro-phenylethynyl)-pyridin-2-yl]-methanone
• 英文别名: [5-[2-(3-Chlorophenyl)ethynyl]pyridin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone；[5-[2-(3-chlorophenyl)ethynyl]pyridin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone
• CAS: 1600527-95-4
• 化学式: C₂₀H₁₉ClN₂O₂
• 分子量: 354.836
• InChiKey: TVVKRRYSXWSDJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY<br/>[FR] DÉRIVÉS D'ÉTHYNYLE COMME MODULATEURS DE L'ACTIVITÉ DES RÉCEPTEURS MGLUR5
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014060398A1

  公开（公告）日：2014-04-24

  The present invention relates to ethynyl derivatives of formula (I) wherein Y is N or CH R1 is fluoro or chloro R2 is hydrogen or methyl or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. It has now surprisingly been found that the compounds of general formula I are metabotropic glutamate receptor antagonists (negative allosteric modulators) for use in the treatment of anxiety and pain, depression, Fragile-X syndrom, autism spectrum disorders, Parkinson's disease, and gastroesophageal reflux disease (GERD).

  本发明涉及公式（I）的乙炔衍生物，其中Y为N或CH，R1为氟或氯，R2为氢或甲基，或其药学上可接受的酸加盐，或其对映体和/或光学异构体和/或立体异构体。现已惊奇地发现，一般公式I的化合物是代谢型谷氨酸受体拮抗剂（负性变构调节剂），可用于治疗焦虑和疼痛，抑郁症，脆性X综合症，自闭症谱系障碍，帕金森病和胃食管反流病（GERD）。
• Ethynyl Derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150225385A1

  公开（公告）日：2015-08-13

  The present invention relates to ethynyl derivatives of formula I wherein Y is N or CH 1 is fluoro or chloro R 2 is hydrogen or methyl or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. It has now surprisingly been found that the compounds of general formula I are metabotropic glutamate receptor antagonists (negative allosteric modulators) for use in the treatment of anxiety and pain, depression, Fragile-X syndrom, autism spectrum disorders, Parkinson's disease, and gastroesophageal reflux disease (GERD).

  本发明涉及通式I的乙炔衍生物，其中Y为N或CH，1为氟或氯，R2为氢或甲基，或其药学上可接受的酸加成盐，其为外消旋混合物，或其对应的对映体和/或光学异构体和/或立体异构体。现已惊奇地发现，通式I的化合物是代谢型谷氨酸受体拮抗剂（负向变构调节剂），用于治疗焦虑和疼痛、抑郁症、脆性X综合征、自闭症谱系障碍、帕金森病和胃食管反流病（GERD）。
• EP2909180A1
  申请人：——

  公开号：EP2909180A1

  公开（公告）日：2015-08-26
• ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2909180B1

  公开（公告）日：2016-10-05
• US9227959B2
  申请人：——

  公开号：US9227959B2

  公开（公告）日：2016-01-05