4a-benzyl-3,4,5,6,6a,7,8,9,10,10a-decahydro-8-methyl-(4aH)-benzo[c]quinolizin-3-one | 868830-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 4a-benzyl-3,4,5,6,6a,7,8,9,10,10a-decahydro-8-methyl-(4aH)-benzo[c]quinolizin-3-one
• 英文别名: 4a-benzyl-8-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-benzo[f]quinolizin-3-one
• CAS: 868830-05-1
• 化学式: C₂₁H₂₇NO
• 分子量: 309.451
• InChiKey: MYEYOMSVFMPARC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Benzo (C)quinolizine derivatives, their preparation and use as 5-alphareductases inhibitors
  申请人：APPLIED RESEARCH SYSTEMS ARS HOLDING N.V.

  公开号：EP0926148A1

  公开（公告）日：1999-06-30

  The present invention refers to benzo[c]quinolizines derivatives, fully and partially saturated, having formula (I) and their pharmaceutically acceptable salts which proves useful for pharmaceutical and agricultural use being capable of inhibiting the 5α-reductase enzyme either selectively in respect of 5αR-I and 5αR-II or on both the iso-enzymes. Compounds (1) can be used to regulate growth and act as herbicides, or to treat acne, baldness, prostatic cancer and prostatic hypertrophy.

  本发明涉及苯并[c]喹啉衍生物，完全和部分饱和，其具有公式（I）及其药学上可接受的盐，对医药和农业用途有用，能够选择性地抑制5α-还原酶酶，无论是对于5αR-I和5αR-II还是对于两种亚型的酶。化合物（1）可用于调节生长并作为除草剂，或用于治疗痤疮，脱发，前列腺癌和前列腺肥大。
• BENZO C]QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1066284A1

  公开（公告）日：2001-01-10
• BENZO(C)QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1066284B1

  公开（公告）日：2005-08-31
• US6962925B1
  申请人：——

  公开号：US6962925B1

  公开（公告）日：2005-11-08
• [EN] BENZO[C]QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS<br/>[FR] DERIVES BENZO[C]QUINOLIZINE ET LEUR UTILISATION EN TANT QU'INHIBTEURS DE LA 5 alpha -REDUCTASE
  申请人：APPLIED RESEARCH SYSTEMS ARS HOLDING N.V.

  公开号：WO1999033828A1

  公开（公告）日：1999-07-08

  (EN) The present invention refers to benzo[c]quinolizines derivatives, fully and partially saturated, having formula (I), and their pharmaceutically acceptable salts which proves useful for pharmaceutical and agricultural use being capable of inhibiting the 5$g(a)-reductase enzyme either selectively in respect of 5$g(a)R-I and 5$g(a)R-II or on both the iso-enzymes.(FR) L'invention concerne des dérivés de benzo[c]quinolizine, intégralement ou partiellement saturés, de formule (I), et leur sels pharmaceutiquement acceptables, utiles à des fins pharmaceutiques et agricoles et capables d'inhiber la 5$g(a)-réductase soit sélectivement à l'égard de 5$g(a)R-I et 5$g(a)R-II ou sur les deux iso-enzymes à la fois.