N-(1-methylethyl)-2-[6-[3-(methyloxy)phenyl]-4-oxo-2-{[3-(1-piperidinyl)propyl]oxy}pyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamide | 1192312-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并[1,5-a]吡嗪
• 英文名称: N-(1-methylethyl)-2-[6-[3-(methyloxy)phenyl]-4-oxo-2-{[3-(1-piperidinyl)propyl]oxy}pyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamide
• 英文别名: 2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
• CAS: 1192312-91-6
• 化学式: C₂₆H₃₅N₅O₄
• 分子量: 481.595
• InChiKey: YLWJBLIXFWENLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌啶 、 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 N-(1-methylethyl)-2-[6-[3-(methyloxy)phenyl]-4-oxo-2-{[3-(1-piperidinyl)propyl]oxy}pyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamide
  参考文献：
  名称：

  Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: Novel, potent, and selective series of Vasopressin1b receptor antagonists

  摘要：

  Novel series of pyrrole-pyrazinone and pyrazole-pyrazinone have been identified as potent and selective Vasopressin(1b) receptor antagonists. Exploration of the substitution pattern around the core of these templates allowed generation of compounds with high inhibitory potency at the Vasopressin(1b) receptor, including examples that showed good selectivity with respect to Vasopressin(1a), Vasopressin(2), and Oxytocin receptor subtypes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.037

文献信息

• [EN] PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS<br/>[FR] DÉRIVÉS DE PIRAZOLO [1, 5 -A] PYRAZINE, ANTAGONISTES DES RÉCEPTEURS V1B
  申请人：GLAXO GROUP LTD

  公开号：WO2009130232A1

  公开（公告）日：2009-10-29

  The present invention relates to novel compounds of formula (I) or salts thereof: wherein R is -X-[CH2]nCR4R5-Y; or a group G; G is one of the groups selected form the list consisting of G1, G2, G3, G4, G5, G6, G7, G8, G9, G10, G11 and G12, and the rest of the variables are as specified in the claims, processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as antagonists of V1b receptors, e.g. to treat depression and anxiety.

  本发明涉及公式(I)的新化合物或其盐：其中R为-X-[CH2]nCR4R5-Y；或一个基团G；G是从G1、G2、G3、G4、G5、G6、G7、G8、G9、G10、G11和G12的列表中选择的基团之一，其余变量如索赔中所述，以及其制备方法、用于这些方法的中间体、含有它们的药物组合物以及它们作为V1b受体拮抗剂在治疗中的用途，例如用于治疗抑郁症和焦虑症。