(1S,5aR,9aR,11aS)-9a,11a-dimethyl-1-(4-methylpiperidine-1-carbonyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (1S,5aR,9aR,11aS)-9a,11a-dimethyl-1-(4-methylpiperidine-1-carbonyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
• 化学式: C₂₅H₃₈N₂O₂
• 分子量: 398.6
• InChiKey: LIEQWVKDLSWRBZ-GKHOLPFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Process for dehydrogenation of azaandros tane compounds
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US20030215902A1

  公开（公告）日：2003-11-20

  The invention relates to a process for the production of compounds of general formula (I), wherein R 1 is a —NH-tert-butyl group or a 4-methyl-piperidino group, by bioconversion of compounds of general formula (II), wherein R 1 is as described above, using a biocatalyst having steroid-&Dgr; 1 -dehydrogenase enzyme activity, wherein the activity of the enzyme needed for the bioconversion is produced by induction. 1

  本发明涉及通式(I)化合物的生产工艺，其中 R 1 是-NH-叔丁基或 4-甲基哌啶基，通过生物转化通式（II）化合物的工艺，其中 R 1 如上文所述，使用具有类固醇-Dgr； 1 -脱氢酶活性的生物催化剂，其中生物转化所需的酶活性是通过诱导产生的。 1
• PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS
  申请人：RICHTER GEDEON VEGYESZETI GYAR RT.

  公开号：EP1504021B1

  公开（公告）日：2006-07-12
• US6762302B2
  申请人：——

  公开号：US6762302B2

  公开（公告）日：2004-07-13
• [EN] PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS<br/>[FR] PROCEDE DE DESHYDROGENATION DE COMPOSES D'AZAANDROSTANE
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2003095472A1

  公开（公告）日：2003-11-20

  The invention relates to a process for the production of compounds of general formula (I), wherein R1 is a -NH-tert-butyl group or a 4-methyl-piperidino group, by bioconversion of compounds of general formula (II), wherein R1 is as described above, using a biocatalyst having steroid-Δl-dehydrogenase enzyme activity, wherein the activity of the enzyme needed for the bioconversion is produced by induction.