8-chloro-3,4,5,6,6a,7,8,9,10,10a-decahydro-4,6-dimethyl-(4aH)-benzo[c]quinolizin-3-one | 868829-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 8-chloro-3,4,5,6,6a,7,8,9,10,10a-decahydro-4,6-dimethyl-(4aH)-benzo[c]quinolizin-3-one
• 英文别名: 8-Chloro-4,6-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
• CAS: 868829-67-8
• 化学式: C₁₅H₂₂ClNO
• 分子量: 267.799
• InChiKey: PDWHAYNQHRPVQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 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。
• Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids
  申请人：Minamida Ryo

  公开号：US20050288526A1

  公开（公告）日：2005-12-29

  There is provided a production method of a compound of formula (2): wherein R 1 , R 2 and R 3 are as defined below, which comprises reacting a 2-(hydroxymethyl)cyclopropanecarboxylic compound of formula (1): wherein and R 1 represent a hydrogen, a linear, branched or cyclic alkyl group, a substituted or unsubstituted aryl group, R 2 and R 3 are the same or different and represent a hydrogen atom or a methyl group, and R 4 represents C1-2 alkyl group substituted with at lest one group selected from the group consisting of a substituted aryl group and an unsubstituted aryl group, with a hydrogen-donor in the presence of a catalyst selected from the group consisting of ruthenium catalyst, cobalt catalyst, rhodium catalyst, nickel catalyst, palladium catalyst and a platinum catalyst.

  提供了一种式(2)化合物的生产方法： 其中 R 1 , R 2 和 R 3 的定义如下、 其中包括 式（1）的 2-（羟甲基）环丙烷羧酸化合物： 其中和 R 1 代表氢、直链、支链或环状烷基、取代或未取代的芳基、 R 2 和 R 3 相同或不同，代表氢原子或甲基，以及 R 4 代表在选自钌催化剂、钴催化剂、铑催化剂、镍催化剂、钯催化剂和铂催化剂的催化剂存在下，被至少一个选自取代芳基和未取代芳基的基团取代的 C1-2 烷基。
• 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