ethyl 3-methyl-7-trifluoromethylquinoxaline-2-carboxylate | 1214254-73-5

• 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-methyl-7-trifluoromethylquinoxaline-2-carboxylate
• 英文别名: Ethyl 3-methyl-7-trifluoromethylquino xaline-2-carboxylate；ethyl 3-methyl-7-(trifluoromethyl)quinoxaline-2-carboxylate
• CAS: 1214254-73-5
• 化学式: C₁₃H₁₁F₃N₂O₂
• 分子量: 284.238
• InChiKey: UJJSEGLAVQBCBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS<br/>[FR] COMPOSÉS PYRAZOLOPYRIMIDINES ET LEUR UTILISATION COMME INHIBITEUR DE LA PDE10
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2011105628A1

  公开（公告）日：2011-09-01

  The present invention relates to a compound represented by formula [I]: wherein: R1 is hydrogen, halogen, lower alkyl or cyano; Ring A is an optionally substituted heterocyclic group; Ring B is an optionally substituted 3 to 6-membered monocyclic group; and Y is optionally substituted amino, optionally substituted cyclic amino, optionally substituted aliphatic 3 to 6-membered monocyclyloxy, optionally substituted lower alkyl or optionally substituted lower alkyl-O-, or a pharmaceutically acceptable salt thereof, and to their use as PDE10 inhibitor.

  本发明涉及一种由式[I]表示的化合物，其中：R1是氢、卤素、较低的烷基或氰基；环A是可选择取代的杂环基团；环B是可选择取代的3至6元杂环基团；Y是可选择取代的氨基、可选择取代的环氨基、可选择取代的脂肪族3至6元单环氧基、可选择取代的较低的烷基或可选择取代的较低的烷基-O-，或其药学上可接受的盐，以及它们作为PDE10抑制剂的用途。
• TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS
  申请人：Kawanishi Eiji

  公开号：US20110160206A1

  公开（公告）日：2011-06-30

  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 [I 0 ] 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 X 1 and X 2 is N, and the other of X 1 and X 2 is CH; A is *-CH═CH—, *-C(Alk)=CH—, *-CH 2 —CH 2 — or *-O—CH 2 — (* is a bond with R 1 ); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R 1 is an optionally substituted quinoxalinyl or an optionally substituted quinolyl; Y 0 is mono- or di-substituted amino group, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有优异的PDE10抑制活性的三取代嘧啶化合物。本发明涉及一种由以下式[I0]表示的三取代嘧啶化合物或其药学上可接受的盐，以及制备该化合物的方法，以及将所述化合物用作PDE10抑制剂的用途，以及包含所述化合物作为活性成分的药物组合物：其中：X1和X2中的任一者为N，另一者为CH；A为*-CH═CH—，*-C(Alk)=CH—，*-CH2— —或*-O— —（*是与R1形成键）；Alk为较低的烷基基团；环B为可选择地取代的含氮脂肪杂环基团；R1为可选择地取代的喹唑啉基或可选择地取代的喝啉基；Y0为单取代或双取代的氨基团，或其药学上可接受的盐。
• PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS
  申请人：Kawanishi Eiji

  公开号：US20120309754A1

  公开（公告）日：2012-12-06

  The present invention relates to a compound represented by formula [I]: wherein: R 1 is hydrogen, halogen, lower alkyl or cyano; Ring A is an optionally substituted heterocyclic group; Ring B is an optionally substituted 3 to 6-membered monocyclic group; and Y is optionally substituted amino, optionally substituted cyclic amino, optionally substituted aliphatic 3 to 6-membered monocyclyloxy, optionally substituted lower alkyl or optionally substituted lower alkyl-O—, or a pharmaceutically acceptable salt thereof, and to their use as PDE10 inhibitor.

  本发明涉及一种由式[I]表示的化合物： 其中：R1是氢、卤素、较低的烷基或氰基；环A是可选取代的杂环基团；环B是可选取代的3至6成员的单环基团；以及Y是可选取代的氨基、可选取代的环状氨基、可选取代的脂肪族3至6成员的单环氧基、可选取代的较低烷基或可选取代的较低烷基-O-，或其药学上可接受的盐，并且作为PDE10抑制剂使用。
• US8969376B2
  申请人：——

  公开号：US8969376B2

  公开（公告）日：2015-03-03
• [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.