(S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-((S)-piperidin-3-yl)-1,3-oxazinan-2-one trifluoroacetate | 1192465-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-((S)-piperidin-3-yl)-1,3-oxazinan-2-one trifluoroacetate
• 英文别名: (S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-((S)-piperidin-3-yl)-1,3-oxazinan-2-one TFA salt；(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(3S)-piperidin-3-yl]-1,3-oxazinan-2-one;2,2,2-trifluoroacetic acid
• CAS: 1192465-82-9
• 化学式: C₂HF₃O₂*C₁₉H₂₈N₂O₃
• 分子量: 446.467
• InChiKey: WHPVCRIRYHXVPY-QSVLQNJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  99.1
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-((S)-piperidin-3-yl)-1,3-oxazinan-2-one trifluoroacetate 、 6-氯咪唑并[1,2-b]哒嗪 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 2.5h， 生成 (S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(imidazo[1,2-b]pyridazin-6-yl)piperidin-3-yl)-6-phenyl-1,3-oxazinan-2-one
  参考文献：
  名称：

  [EN] DERIVATIVES OF [1, 3] OXAZIN- 2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS
  [FR] INHIBITEURS CYCLIQUES DE 11 BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE 1

  摘要：

  公开号：

  WO2010091067A3

文献信息

• Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1
  申请人：Claremon David A.

  公开号：US20110124635A1

  公开（公告）日：2011-05-26

  This invention relates to novel compounds of the Formula (I), (II), 1u 1-20 , Iv 1-20 , Iv 1-20 , Iw 1-20 , Ix 1-7 , pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful for the therapeutic treatment of diseases associated with the modulation or inhibition of 1β-HSD1 in mammals. The invention further relates to pharmaceutical compositions of the novel compounds and methods for their use in the reduction or control of the production of cortisol in a cell or the inhibition of the conversion of cortisone to cortisol in a cell.

  本发明涉及式(I)、(II)、1u1-20、Iv1-20、Iw1-20、Ix1-7的新化合物，其药学上可接受的盐和制药组合物，用于治疗与哺乳动物中1β-HSD1的调节或抑制相关的疾病。本发明还涉及新化合物的制药组合物和它们在细胞中减少或控制皮质醇的产生或抑制皮质酮向皮质醇的转化的使用方法。
• Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：US08242111B2

  公开（公告）日：2012-08-14

  This invention relates to novel compounds of a structural formula selected from: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful for the therapeutic treatment of diseases associated with the modulation or inhibition of 11β-HSD1 in mammals, e.g., diabetes mellitus and obesity. Values for the variables in the structural formulas are provided herein. The invention further relates to pharmaceutical compositions of the novel compounds and methods for their use in the reduction or control of the production of cortisol in a cell or the inhibition of the conversion of cortisone to cortisol in a cell.

  本发明涉及一种结构式选自以下的新化合物：其药学上可接受的盐，以及其制备的药物组合物，用于治疗与哺乳动物中11β-HSD1的调节或抑制有关的疾病，例如糖尿病和肥胖症。结构式中变量的值在此提供。本发明还涉及新化合物的药物组合物及其在细胞中减少或控制皮质醇的产生或抑制皮质酮转化为皮质醇的方法。