1-(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol

• 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: 1-(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol
• 化学式: C₂₂H₃₆O₂
• 分子量: 332.5
• InChiKey: CDXIVBAMQCVRMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Non-Bioconvertible C3-Substituted Pregnenolone Derivatives for Use in the Treatment of Treatment-Resistant Depression
  申请人：MAPREG

  公开号：US20170252358A1

  公开（公告）日：2017-09-07

  The present invention relates to methods for the treatment of treatment-resistant depression (TRD), comprising the administration of compounds of formula (I), which are blocked in C 3 position and cannot metabolize in vivo into pregnenolone derivatives and which do not have significant affinity for steroid hormonal receptors and for all tested classical main receptors and receptors of neurotransmitters of the central nervous system.

  本发明涉及治疗难治性抑郁症（TRD）的方法，包括给予式(I)化合物的治疗，该化合物在C3位置被阻断，不能在体内代谢成孕酮衍生物，并且对类固醇激素受体、所有经过测试的经典主要受体以及中枢神经系统神经递质受体没有显著的亲和力。
• NON-BIOCONVERTIBLE C3-SUBSTITUTED PREGNENOLONE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE USE DISORDERS
  申请人：Mapreg

  公开号：EP3165225A1

  公开（公告）日：2017-05-10

  The present invention relates to the use of non-bioconvertible C3-substituted pregnenolone derivatives of formula (I), with no significant affinity for hormonal receptors or receptors of the central nervous system, in the treatment of substance use disorders, and in particular of alcohol use disorder.

  本发明涉及对激素受体或中枢神经系统受体无明显亲和力的式(I)的不可生物转化的C3-取代孕烯醇酮衍生物在治疗药物使用障碍，特别是酒精使用障碍中的用途。
• Non-bioconvertible C3-substituted pregnenolone derivatives for use in the treatment of substance use disorders
  申请人：MAPREG

  公开号：US11077122B2

  公开（公告）日：2021-08-03

  The present invention relates to the use of non-bioconvertible C3-substituted pregnenolone derivatives of formula (I), with no significant affinity for hormonal receptors or receptors of the central nervous system, in the treatment of substance use disorders, and in particular of alcohol use disorder.

  本发明涉及对激素受体或中枢神经系统受体无明显亲和力的式(I)的不可生物转化的C3-取代孕烯醇酮衍生物在治疗药物使用障碍，特别是酒精使用障碍中的用途。
• US9943528B2
  申请人：——

  公开号：US9943528B2

  公开（公告）日：2018-04-17
• [EN] NON-BIOCONVERTIBLE C3-SUBSTITUTED PREGNENOLONE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE USE DISORDERS<br/>[FR] DÉRIVÉS NON BIOCONVERTIBLES SUBSTITUÉS EN C3 DE LA PRÉGNÉNOLONE POUR UNE UTILISATION DANS LE TRAITEMENT DE TROUBLES ADDICTIFS
  申请人：MAPREG

  公开号：WO2017077082A1

  公开（公告）日：2017-05-11

  The present invention relates to the use of non-bioconvertible C3-substituted pregnenolone derivatives of formula (I), with no significant affinity for hormonal receptors or receptors of the central nervous system, in the treatment of substance use disorders, and in particular of alcohol use disorder.