5-((S)-1-(4-bromo-phenyl)ethylamino)-5-oxo-3-phenyl-pentanoic acid | 1180003-31-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 5-((S)-1-(4-bromo-phenyl)ethylamino)-5-oxo-3-phenyl-pentanoic acid
• 英文别名: 5-((S)-1-(4-bromophenyl)ethylamino)-5-oxo-3-phenylpentanoic acid；5-[[(1S)-1-(4-bromophenyl)ethyl]amino]-5-oxo-3-phenylpentanoic acid
• CAS: 1180003-31-9
• 化学式: C₁₉H₂₀BrNO₃
• 分子量: 390.277
• InChiKey: ZWHCHFHSYSQZAT-KNVGNIICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-((S)-1-(4-bromo-phenyl)ethylamino)-5-oxo-3-phenyl-pentanoic acid 在 硼烷 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 5-((S)-1-(4-bromo-phenyl)ethylamino)-5-oxo-3-phenyl-pentyl methanesulfonate
  参考文献：
  名称：

  [EN] CYCLOALKYL LACTAME DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1
  [FR] INHIBITEURS DE 11BETA-HYDROXYSTÉROÏDE DESHYDROGÉNASE 1

  摘要：

  公开号：

  WO2009102460A3
• 作为产物：
  描述：

  3-苯基戊二酸酐 、 (S)-(-)-1-(4-溴苯)乙胺 在 三乙胺 作用下， 以 甲苯 为溶剂， 以93%的产率得到5-((S)-1-(4-bromo-phenyl)ethylamino)-5-oxo-3-phenyl-pentanoic acid
  参考文献：
  名称：

  [EN] CYCLOALKYL LACTAME DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1
  [FR] INHIBITEURS DE 11BETA-HYDROXYSTÉROÏDE DESHYDROGÉNASE 1

  摘要：

  公开号：

  WO2009102460A3

文献信息

• Cycloalkyl Lactame Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1
  申请人：Claremon David A.

  公开号：US20110071139A1

  公开（公告）日：2011-03-24

  This invention relates to novel compounds of the Formula (I), any of the formulas I 1 -I 26 Ia 1-3 -Ij 1-3 or 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.

  本发明涉及公式（I）的新化合物，其中任何公式I1-I26，Ia1-3-Ij1-3或其药学上可接受的盐，以及其制药组合物，用于治疗与哺乳动物中11β-HSD1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降低或控制皮质醇的产生或抑制皮质酮转化为皮质醇的方法。
• Cycloalkyl lactame derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1
  申请人：Claremon David A.

  公开号：US08598160B2

  公开（公告）日：2013-12-03

  This invention relates to novel compounds of the Formula (I), any of the formulas I1-I26 1a1-3-1j1-3 or 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.

  本发明涉及公式（I）的新化合物，任何公式I1-I26 1a1-3-1j1-3或其药学上可接受的盐，以及其制药组合物，用于治疗与哺乳动物中11β-HSD1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转化为皮质醇的方法。
• CYCLOALKYL LACTAME DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP2254872A2

  公开（公告）日：2010-12-01
• US8598160B2
  申请人：——

  公开号：US8598160B2

  公开（公告）日：2013-12-03
• [EN] INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1<br/>[FR] INHIBITEURS DE 11BETA-HYDROXYSTÉROÏDE DESHYDROGÉNASE 1
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2009102460A2

  公开（公告）日：2009-08-20

  This invention relates to novel compounds of the Formula (I), any of the formulas I1-I26 la1-3-lj1-3 or 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.