2,2,N-trimethyl-N-(5-phenylethynyl-pyrimidin-2-yl)-propionamide | 1429403-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,2,N-trimethyl-N-(5-phenylethynyl-pyrimidin-2-yl)-propionamide
• 英文别名: N,2,2-trimethyl-N-[5-(2-phenylethynyl)pyrimidin-2-yl]propanamide
• CAS: 1429403-40-6
• 化学式: C₁₈H₁₉N₃O
• 分子量: 293.368
• InChiKey: MRNKGHIVWGFKKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• ETHYNYL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130090347A1

  公开（公告）日：2013-04-11

  The present invention relates to ethynyl derivatives of formula I wherein U, V, W, Y, R, R 1 , R 2 , R 3 and R 3′ are as described herein. It has been found that the compounds of general formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔衍生物，其中U、V、W、Y、R、R1、R2、R3和R3'如本文所述。已发现一般公式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。
• [EN] ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS D'ÉTHYNYLE COMME MODULATEURS DU RÉCEPTEUR MÉTABOTROPIQUE AU GLUTAMATE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013050460A1

  公开（公告）日：2013-04-11

  The present invention relates to ethynyl derivatives of formula I wherein Y is N or CH; with the proviso that Y can only be CH, if at least on of U, V or W are N; U is N or C-R4; V and W are independently N or CH; with the proviso that only one of U, V or W can be simultaneously nitrogen; R4 is hydrogen, methyl or halogen; R1 is phenyl or heteroaryl, which are optionally substituted by halogen, lower alkyl or lower alkoxy; R is hydrogen or lower alkyl; R2 is hydrogen, lower alkyl, lower alkoxy, CF3 or S-lower alkyl; are independently from each other hydrogen, lower alkyl or lower alkoxy; or R3 and R3 form together a C3-5-cycloalkyl-, tetrahydrofuran- or an oxetane-ring; 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 been found that the compounds of general formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔基衍生物，其中Y是N或CH；条件是，如果至少U、V或W中的一个是N，则Y只能是CH；U是N或C-R4；V和W独立地为N或CH；条件是U、V或W中只能同时有一个是氮；R4是氢、甲基或卤素；R1是苯基或杂芳基，它们可被卤素、低级烷基或低级烷氧基取代；R是氢或低级烷基；R2是氢、低级烷基、低级烷氧基、CF3或S-低级烷基；它们独立地是氢、低级烷基或低级烷氧基；或者R3和R3共同形成一个C3-5-环烷基、四氢呋喃或环氧环烷环；或者是一种药用可接受的酸加成盐，是一种外消旋混合物，或者是其相应的对映体和/或光学异构体和/或立体异构体。研究发现，通用公式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。
• ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2763969A1

  公开（公告）日：2014-08-13
• US8530472B2
  申请人：——

  公开号：US8530472B2

  公开（公告）日：2013-09-10