2,2,2-trifluoro-1-[(7R,11R,12S)-6,7,8,9,10,11-hexahydro-2,11,12-trimethyl-7,11-methano-1H-oxazolo[4,5-h][3]benzazocin-8-yl]ethanone | 1155857-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2,2-trifluoro-1-[(7R,11R,12S)-6,7,8,9,10,11-hexahydro-2,11,12-trimethyl-7,11-methano-1H-oxazolo[4,5-h][3]benzazocin-8-yl]ethanone
• 英文别名: 2,2,2-trifluoro-1-[(1R,12R,16S)-1,5,16-trimethyl-6-oxa-4,13-diazatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),4,8-tetraen-13-yl]ethanone
• CAS: 1155857-27-4
• 化学式: C₁₈H₁₉F₃N₂O₂
• 分子量: 352.356
• InChiKey: QOMTZDZHZBHOIW-OGTWGDGJSA-N

物化性质

• 沸点：
  465.7±45.0 °C(predicted)
• 密度：
  1.303±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  原乙酸三甲酯 、 1-[(2R,6R,11S)-7-amino-8-hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-yl]-2,2,2-trifluoro-ethanone 反应 3.0h， 以47%的产率得到2,2,2-trifluoro-1-[(7R,11R,12S)-6,7,8,9,10,11-hexahydro-2,11,12-trimethyl-7,11-methano-1H-oxazolo[4,5-h][3]benzazocin-8-yl]ethanone
  参考文献：
  名称：

  [EN] ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE
  [FR] DÉRIVÉS ARYL- ET HÉTÉROARYLCARBONYLES DE BENZOMORPHANES ET STRUCTURES LIÉES À CEUX-CI, MÉDICAMENTS CONTENANT DE TELS COMPOSÉS ET LEUR UTILISATION

  摘要：

  公开号：

  WO2009063061A3

文献信息

• Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use
  申请人：Eckhardt Matthias

  公开号：US20110028445A1

  公开（公告）日：2011-02-03

  The present invention relates to compounds defined by formula (I) wherein the groups A, B, X, m, n and o are defined as in claim 1 , possessing valuable pharmacological activity. Particularly the compounds are inhibitors of 11 β-hydroxysteroid dehydrogenase (HSD) 1 and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this enzyme, such as metabolic diseases, in particular diabetes type 2, obesity and dyslipidemia.

  本发明涉及由式(I)定义的化合物，其中A，B，X，m，n和o的基团如权利要求1中所定义，具有有价值的药理活性。特别地，这些化合物是11β-羟基类固醇脱氢酶（HSD）1的抑制剂，因此适用于治疗和预防可以通过抑制该酶而受到影响的疾病，如代谢性疾病，特别是2型糖尿病，肥胖症和血脂异常。
• ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2220048B1

  公开（公告）日：2017-01-25
• US8859580B2
  申请人：——

  公开号：US8859580B2

  公开（公告）日：2014-10-14
• [EN] UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE<br/>[FR] DÉRIVÉS D'URÉE DE BENZOMORPHANES ET STRUCTURES ASSOCIÉES, MÉDICAMENTS CONTENANT DE TELS COMPOSÉS ET LEUR UTILISATION
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009100872A1

  公开（公告）日：2009-08-20

  The present invention relates to compounds defined by formula (I) wherein the groups A, B, X, m, n and o are defined as in claim 1, possessing valuable pharmacological activity. Particularly the compounds are inhibitors of 11 β-hydroxysteroid dehydrogenase (HSD) 1 and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this enzyme, such as metabolic diseases, in particular diabetes type 2, obesity and dyslipidemia.
• [EN] ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE<br/>[FR] DÉRIVÉS ARYL- ET HÉTÉROARYLCARBONYLES DE BENZOMORPHANES ET STRUCTURES LIÉES À CEUX-CI, MÉDICAMENTS CONTENANT DE TELS COMPOSÉS ET LEUR UTILISATION
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009063061A3

  公开（公告）日：2009-07-23