ethyl 3-chloro-7-methoxyquinoxaline-2-carboxylate | 1214254-74-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: ethyl 3-chloro-7-methoxyquinoxaline-2-carboxylate
• 英文别名: Ethyl 3-chloro-7-methoxyquinoxaline-2-carboxylate
• CAS: 1214254-74-6
• 化学式: C₁₂H₁₁ClN₂O₃
• 分子量: 266.684
• InChiKey: RHXYJLNRQPIYOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-chloro-6-methoxy-quinoxaline-2-carboxylic acid ethyl ester 、 ethyl 3-chloro-7-methoxyquinoxaline-2-carboxylate 、 三甲基环三硼氧烷 、 以to give ethyl 6-methoxy-3-methylquinoxaline-2-carboxylate and ethyl 7-methoxy-3-methylquinoxaline-2-carboxylate的产率得到ethyl 6-methoxy-3-methylquinoxaline-2-carboxylate
  参考文献：
  名称：

  TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS

  摘要：

  本发明提供了一种具有优异PDE10抑制活性的三取代嘧啶化合物。本发明涉及以下式[I0]所表示的三取代嘧啶化合物或其药学上可接受的盐，其制备方法，以及用于PDE10抑制剂的该化合物的用途和包含该化合物作为活性成分的药物组合物：其中：X1和X2中的任意一个为N，另一个为CH；A为*-CH═CH—、*-C(Alk)=CH—、*-CH2—CH2—或*-O—CH2—（*为与R1的键）；Alk为低级烷基；环B为可选的含氮脂肪族杂环基；R1为可选的喹啉基或可选的喹啉基；Y0为单取代或双取代氨基，或其药学上可接受的盐。

  公开号：

  US20110160206A1

文献信息

• [EN] TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS<br/>[FR] PYRIMIDINES TRI-SUBSTITUÉES ET LEUR UTILISATION COMME INHIBITEURS DE PDE10
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2010027097A1

  公开（公告）日：2010-03-11

  The present invention provides a tri-substituted pyrimidine compound having an excellent PDE10 inhibitory activity. The present invention relates to a tri-substituted pyrimidine compound represented by the following formula [I0] or a pharmaceutically acceptable salt thereof, a method for preparing the same, and use of said compound for PDE10 inhibitor, and a pharmaceutical composition comprising said compounds as an active ingredient: wherein: either one of X1 and X2 is N, and the other of X1 and X2 is CH; A is *-CH=CH-, *-C(Alk)=CH-, *-CH2-CH2- or *-O-CH2- (* is a bond with R1); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R1 is an optionally substituted quinoxalinyl or an optionally substituted quinolyl; Y0 is mono- or di- substituted amino group, or a pharmaceutically acceptable salt thereof.