3-(2-methyl-4-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)but-3-yn-2-yl)-6-(2-methylallyl)-6-phenyl-1,3-oxazinan-2-one | 1262298-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-(2-methyl-4-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)but-3-yn-2-yl)-6-(2-methylallyl)-6-phenyl-1,3-oxazinan-2-one
• 英文别名: 3-[2-methyl-4-(1-methyl-2-oxoquinolin-6-yl)but-3-yn-2-yl]-6-(2-methylprop-2-enyl)-6-phenyl-1,3-oxazinan-2-one
• CAS: 1262298-31-6
• 化学式: C₂₉H₃₀N₂O₃
• 分子量: 454.569
• InChiKey: CDCBSFVLVTUBBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 3-hydroxy-5-methyl-3-phenylhex-5-enyl(2-methylbut-3-yn-2-yl)carbamate 、 6-溴-1-甲基-1H-喹啉-2-酮 生成 3-(2-methyl-4-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)but-3-yn-2-yl)-6-(2-methylallyl)-6-phenyl-1,3-oxazinan-2-one
  参考文献：
  名称：

  Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 based on the 1,3-oxazinan-2-one structure

  摘要：

  本发明涉及由公式（I）所表示的化合物，或其药学上可接受的盐、对映体或二对映体。本发明还涉及包含公式（I）的化合物或其药学上可接受的盐、对映体或二对映体的制药组合物，用于治疗与哺乳动物中11β-HSD1的调节或抑制相关的疾病。公式（I）的变量的值在此定义。

  公开号：

  US08927539B2

文献信息

• [EN] CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE<br/>[FR] INHIBITEURS CYCLIQUES DE LA 11-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE 1 BASÉE SUR LA STRUCTURE 1,3-OXAZINAN-2-ONE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2011011123A1

  公开（公告）日：2011-01-27

  This invention relates to substitued 1, 3-oxazin-2-one compounds of the Formula (I), (II), (IIA), (IIB), (IIC), (II D), (IIE), (III), (III A), (III B), (IV), (IV A), (IV B), (IV C), (IV D), (V), (V A), (V B), (VI), (VI A), (VI B), (VII), (VII A), (VII B), 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. 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.

  这项发明涉及Formula (I), (II), (IIA), (IIB), (IIC), (II D), (IIE), (III), (III A), (III B), (IV), (IV A), (IV B), (IV C), (IV D), (V), (V A), (V B), (VI), (VI A), (VI B), (VII), (VII A), (VII B)的取代1,3-噁唑-2-酮化合物，以及其药学上可接受的盐和药物组合物，用于治疗与哺乳动物中11β-HSD1的调节或抑制相关的疾病。该发明还涉及这些新化合物的药物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醇酮转化为皮质醇的方法的用途。
• CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE
  申请人：Claremon David A.

  公开号：US20120208804A1

  公开（公告）日：2012-08-16

  This invention relates to substituted 1,3-oxazin-2-one compounds of the Formula (I), (II), (IIA), (IIB), (IIC), (II D), (IIE), (III), (III A), (III B), (IV), (IV A), (IV B), (IV C), (IV D), (V), (V A), (V B), (VI), (VI A), (VI B), (VII), (VII A), (VII B), 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. 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Formula (I), (II), (IIA), (IIB), (IIC), (II D), (IIE), (III), (III A), (III B), (IV), (IV A), (IV B), (IV C), (IV D), (V), (V A), (V B), (VI), (VI A), (VI B), (VII), (VII A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof，这些化合物在哺乳动物中调节或抑制11β-HSD1与疾病相关的治疗治疗非常有用。本发明还涉及这些新化合物的药物组合物和在细胞中减少或控制Cortisol的产生或抑制cortisone转化为Cortisol的方法。
• US8927539B2
  申请人：——

  公开号：US8927539B2

  公开（公告）日：2015-01-06