Pregnanolone sulfate | 1477-67-4

• 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: Pregnanolone sulfate
• 英文别名: 20-oxo-5β-pregnan-3α-yl 3-sulfate；PAS；3alpha-Hydroxy-5beta-pregnane-20-one sulfate；[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• CAS: 1477-67-4
• 化学式: C₂₁H₃₄O₅S
• 分子量: 398.564
• InChiKey: MENQCIVHHONJLU-YZRLXODZSA-N

物化性质

• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  孕烷醇酮 在 三氧化硫 、 三乙胺 作用下， 生成 Pregnanolone sulfate
  参考文献：
  名称：

  类固醇共轭物IV。用三乙胺-三氧化硫制备甾族硫酸盐。

  摘要：

  DOI：

  10.1016/s0039-128x(68)80079-0

文献信息

• [EN] NMDAR INHIBITING AGENTS AND GABAAR POTENTIATING AGENTS AND USES THEREOF<br/>[FR] AGENTS INHIBITEURS DE NMDAR ET AGENTS DE POTENTIALISATION GABAAR ET LEURS UTILISATIONS
  申请人：COVEY DOUGLAS

  公开号：WO2021080880A1

  公开（公告）日：2021-04-29

  N-methyl-d-aspartate receptors (NMDAR) and/or potentiating y-aminobutyric acid receptors (GABAAR) agents and uses thereof are described. Uses of these agents include methods of treating or preventing various psychiatric diseases, disorders, or conditions and methods of treating or preventing alcohol use disorder in a subject in need thereof.

  描述了N-甲基-d-天冬氨酸受体（NMDAR）和/或增强γ-氨基丁酸受体（GABAAR）药物及其用途。这些药物的用途包括治疗或预防各种精神疾病、障碍或病况的方法，以及治疗或预防需要的受试者中的酒精使用障碍的方法。
• STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM
  申请人：Chodounska Hana

  公开号：US20120071453A1

  公开（公告）日：2012-03-22

  A compound with general formula I for treatment of various diseases of the central nervous system, in treatment of neuropsychiatric disorders related to imbalance of glutamatergic neurotransmitter system, ischemic damage of CNS, neurodegenerative changes and disorders of CNS, affective disorders, depression, PTSD and other diseases related to stress, anxiety, schizophrenia and psychotic disorders, pain, addictions, multiple sclerosis, epilepsy and gliomas.

  一种通用化合物，用于治疗中枢神经系统的各种疾病，治疗与谷氨酸能神经递质系统失衡相关的神经精神障碍，中枢神经系统的缺血性损伤，神经退行性变化和中枢神经系统的疾病，情感障碍，抑郁症，创伤后应激障碍以及与压力、焦虑、精神分裂症和精神障碍、疼痛、成瘾、多发性硬化症、癫痫和胶质瘤相关的其他疾病。
• [EN] AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES<br/>[FR] COMPOSÉS AMPHIPHILES DOTÉ DE PROPRIÉTÉS NEUROPROTECTRICES
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I

  公开号：WO2016029888A1

  公开（公告）日：2016-03-03

  The present invention provides amphiphilic compounds with tetradecahydrophenanthrene skeleton and their enantiomers, exhibiting neuroprotective effects, their use as medicaments for treating neuropsychiatric disorders associated with an imbalance in glutamatergic neurotransmitter system, such as ischemic damage of CNS, neurodegenerative changes and disorders of CNS, affective disorders, depression, post-traumatic stress disorder and diseases related to stress, anxiety, schizophrenia and psychotic disorders, pain, addiction, multiple sclerosis, epilepsy, glioma, and a pharmaceutical composition containing said compound.

  本发明提供了具有十四氢苯并骨架及其对映体的两性化合物，表现出神经保护作用，它们可用作治疗与谷氨酸能神经递质系统失衡相关的神经精神障碍的药物，如中枢神经系统缺血性损伤、神经退行性变化和中枢神经系统障碍、情感障碍、抑郁症、创伤后应激障碍以及与压力、焦虑、精神分裂症和精神障碍、疼痛、成瘾、多发性硬化、癫痫、胶质瘤有关的疾病，以及含有该化合物的药物组合物。
• [EN] PREGNANOLONE DERIVATIVES SUBSTITUTED IN 3ALPHA-POSITION WITH THE CATIONIC GROUP, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM<br/>[FR] DÉRIVÉS DE LA PRÉGNANOLONE, SUBSTITUÉS EN POSITION 3 ALPHA PAR LE GROUPE CATIONIQUE, PROCÉDÉS DE PRODUCTION ET D'UTILISATION ASSOCIÉS, ET PRÉPARATIONS PHARMACEUTIQUES LES CONTENANT
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY V V I

  公开号：WO2012110010A1

  公开（公告）日：2012-08-23

  The presented invention applies to pregnanolone derivatives, substituted in 3 alpha-position with the cationic group, of general formula I, the method of the production of these compounds and their utilization for treatment of neuropsychiatric disorders related to imbalance of glutamatergic neurotransmitter system, such as ischemic damage of CNS, neurodegenerative changes and disorders of CNS, affective disorders, depression, post traumatic stress dissorder, and other diseases related to stress, anxiety, schizophrenia, and psychotic disorders, pain, addictions, multiple sclerosis, epilepsy, and gliomas. The object of invention is also the use of compounds of general formula I for production of veterinary and human pharmaceutical preparation for treatment of above mentioned diseases and for production of pharmaceutical preparations containing these compounds.

  该发明涉及孕酮醇衍生物，其在3α位被带正电荷的基团取代，其一般化学式为I，以及这些化合物的生产方法和它们用于治疗与谷氨酸能神经递质系统失衡相关的神经精神障碍，如中枢神经系统的缺血损伤、神经退行性变化和中枢神经系统障碍、情感障碍、抑郁症、创伤后应激障碍以及其他与压力、焦虑、精神分裂症和精神障碍、疼痛、成瘾、多发性硬化、癫痫和胶质瘤相关的疾病的治疗。该发明的目的还包括将一般化学式I的化合物用于制备用于治疗上述疾病的兽药和人类药物制剂，以及用于制备含有这些化合物的药物制剂。
• PREGNANOLONE DERIVATIVES SUBSTITUTED IN 3ALPHA-POSITION WITH THE CATIONIC GROUP, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM
  申请人：Chodounska Hana

  公开号：US20130338383A1

  公开（公告）日：2013-12-19

  Pregnanolone derivatives, substituted in 3 alpha-position with the cationic group, of general formula I, and a method of the production of these compounds and their utilization for treatment of neuropsychiatric disorders related to imbalance of glutamatergic neurotransmitter system, such as ischemic damage of CNS, neurodegenerative changes and disorders of CNS, affective disorders, depression, post traumatic stress disorder, and other diseases related to stress, anxiety, schizophrenia, and psychotic disorders, pain, addictions, multiple sclerosis, epilepsy, and gliomas. The compounds are also used for production of veterinary and human pharmaceutical preparation for treatment of above mentioned diseases and for production of pharmaceutical preparations containing these compounds.

  孕酮衍生物，在3α位被带正电荷的基团取代，其一般式为I，以及这些化合物的生产方法和它们在治疗神经精神障碍方面的应用，如谷氨酸能神经递质系统失衡相关的缺血性中枢神经系统损伤、神经退行性变化和中枢神经系统疾病、情感障碍、抑郁症、创伤后应激障碍，以及其他与压力、焦虑、精神分裂症和精神障碍、疼痛、成瘾、多发性硬化、癫痫和胶质瘤相关的疾病。这些化合物还用于制备用于治疗上述疾病的兽药和人用药物制剂，以及含有这些化合物的制剂的生产。