methyl-{6-[2-(3-methylamino-pyridin-2-yl)-imidazol-1-ylmethyl]-5-propyl-pyrimidin-4-yl}-amine | 691886-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: methyl-{6-[2-(3-methylamino-pyridin-2-yl)-imidazol-1-ylmethyl]-5-propyl-pyrimidin-4-yl}-amine
• 英文别名: N-methyl-6-[[2-[3-(methylamino)pyridin-2-yl]imidazol-1-yl]methyl]-5-propylpyrimidin-4-amine
• CAS: 691886-03-0
• 化学式: C₁₈H₂₃N₇
• 分子量: 337.428
• InChiKey: VTWJSXSCJVTOMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• 4-Imidazol-1-ylmethyl pyrimidine derivatives
  申请人：Neurogen Corporation, A Corporation of the State of Delaware

  公开号：US20040102457A1

  公开（公告）日：2004-05-27

  The invention provides 4-imidazol-1-ylmethyl pyrimidine of the formula 1 that bind to GABA A receptors. In the above formula, R 1 , R 2 R 3 , R 4 , R 5 , R 6 and Ar are defined herein. Such compounds may be used to modulate ligand binding to GABA A receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of central nervous system (CNS) disorders in humans, domesticated companion animals, and livestock animals. Compounds provided herein may be administered alone or in combination with one or more other CNS agents to potentiate the effects of the other CNS agent(s). Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting GABA A receptors (e.g., receptor localization studies).

  该发明提供了结合到GABAA受体的式1的4-咪唑-1-甲基嘧啶。在上述式中，R1、R2、R3、R4、R5、R6和Ar在此有定义。这些化合物可用于调节体内或体外GABAA受体的配体结合，并在治疗人类、驯养伴侣动物和家畜动物的各种中枢神经系统（CNS）疾病中特别有用。本文提供的化合物可以单独使用或与一个或多个其他CNS药剂结合使用，以增强其他CNS药剂的效果。提供了用于治疗此类疾病的药物组合物和方法，以及用于使用此类配体检测GABAA受体的方法（例如，受体定位研究）。
• 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS
  申请人：Neurogen Corporation

  公开号：EP1560822A1

  公开（公告）日：2005-08-10
• US6951864B2
  申请人：——

  公开号：US6951864B2

  公开（公告）日：2005-10-04
• [EN] 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS<br/>[FR] DERIVES DE 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE EN TANT QUE LIGANDS DE RECEPTEURS GABAA
  申请人：NEUROGEN CORP

  公开号：WO2004041808A1

  公开（公告）日：2004-05-21

  The invention provides 4-imidazol-1-ylmethyl pyrimidine of the formula (I) that bind to GABAA receptors. In the above formula, R1, R2, R3, R4, R5, R6 and Ar are defined herein. Such compounds may be used to modulate ligand binding to GABAA receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of central nervous system (CNS) disorders in humans, domesticated companion animals, and livestock animals. Compounds provided herein may be administered alone or in combination with one or more other CNS agents to potentiate the effects of the other CNS agent(s). Pharmaceutical composition and methods for treating such disorders are provided, as are methods for using such ligands for detecting GABAA receptors (e.g., receptor localization studies).