Pregnan-20-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: Pregnan-20-one
• 英文别名: 1-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
• 化学式: C₂₁H₃₄O
• 分子量: 302.5
• InChiKey: RSRDWHPVTMQUGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF<br/>[FR] PROMÉDICAMENTS LIPIDIQUES DE NEUROSTÉROÏDES DE PRÉGNANE ET LEURS UTILISATIONS
  申请人：PURETECH HEALTH LLC

  公开号：WO2020028787A1

  公开（公告）日：2020-02-06

  The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a disclosed lipid prodrug or a pharmaceutical composition thereof.

  本发明提供了淋巴系统定向脂质前药，以及其制药组合物、生产这种前药和组合物的方法，以及改善作为脂质前药一部分的治疗剂的生物利用度或其他性质的方法。本发明还提供了治疗疾病、紊乱或症状的方法，包括向需要的患者施用所述的脂质前药或其制药组合物。
• [EN] LIPID PRODRUGS OF NEUROSTEROIDS<br/>[FR] PROMÉDICAMENTS LIPIDIQUES DE NEUROSTÉROÏDES
  申请人：PURETECH LYT INC

  公开号：WO2021159021A1

  公开（公告）日：2021-08-12

  The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a disclosed lipid prodrug or a pharmaceutical composition thereof.

  本发明提供了淋巴系统导向的脂质前药、其药物组合物、制备此类前药和组合物的方法，以及提高包含在脂质前药中的治疗剂的生物利用度或其他特性的方法。本发明还提供了治疗如本文所述的疾病、紊乱或状况的方法，包括向有需要的患者施用所述的脂质前药或其药物组合物。
• STEROID ANIONIC COMPOUNDS, METHOD FOR THEIR PRODUCTION, USE AND PHARMACEUTICAL PREPARATION CONTAINING THEM
  申请人：Ústav Organické Chemie A Biochemie Akademie Ved Ceské Republiky, v.v.i.

  公开号：EP3243829A1

  公开（公告）日：2017-11-15

  The presented invention applies to the compounds with general formula I, where R1 stands for a group of the general formula R3 OOC-R2- C (R4)-R5 -, where R2 stands for alkyl or alkenyl group with 1 to 18 carbon in a straight or a branching carbon chain, which may be substituted by one or more halogen atoms; R3represents either a hydrogen atom or a protecting group of carboxyl groups, preferably benzyl group; R4 represents oxygen atom, nitrogen atom or a sulfur atom bound by a double bond or R4 represents two hydrogen atoms; R5 represents any at least bivalent atom, preferably an oxygen atom, nitrogen, or carbon atom, except when R2 represents the group -(CH2)n- where n = 0-3 and simultaneously R3 represents a hydrogen atom and R4 and R5 represent an oxygen atom. The present invention also relates to the production process of the compounds with general formula I, where R1 stands for as mentioned previously, the compounds with general formula I for use in treatment of various diseases of 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. This invention further applies to the compounds with general formula I for use in the production of veterinary and human pharmaceutical preparations for use in treatment of above mentioned diseases as well as in production of substances used in experimental research, analytic chemistry, dietary supplements or cosmetic preparations.

  本发明适用于通式 I 的化合物，其中 R1 代表通式 R3 OOC-R2- C (R4)-R5 - 的基团，其中 R2 代表在直链或分支碳链中具有 1 至 18 个碳的烷基或烯基，可被一个或多个卤素原子取代；R3 代表氢原子或羧基保护基团，最好是苄基；R4代表氧原子、氮原子或通过双键结合的硫原子，或者R4代表两个氢原子；R5代表任何至少二价原子，最好是氧原子、氮原子或碳原子，除非R2代表基团-(CH2)n-，其中n＝0-3，同时R3代表氢原子，R4和R5代表氧原子。本发明还涉及通式 I（其中 R1 代表如前所述）化合物的生产工艺，通式 I 化合物用于治疗各种中枢神经系统疾病，治疗与谷氨酸能神经递质系统失衡有关的神经精神疾病、中枢神经系统缺血性损伤、中枢神经系统神经退行性变化和紊乱、情感障碍、抑郁症、创伤后应激障碍和其他与压力、焦虑、精神分裂症和精神病、疼痛、成瘾、多发性硬化症、癫痫和胶质瘤有关的疾病。 本发明还适用于通式 I 的化合物，用于生产治疗上述疾病的兽药和人用药制剂，以及生产用于实验研究、分析化学、膳食补充剂或化妆品制剂的物质。
• PROCESS FOR PREPARING HIGH PURITIY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF
  申请人：Bionice, S.L.U.

  公开号：EP3712161A1

  公开（公告）日：2020-09-23

  The invention relates to an efficient and industrially applicable process for the preparation and purification of allopregnanolone and intermediates thereof without the assistance of column chromatography. This is done by stereoinversion of the corresponding 3-beta.-OH compound to produce the corresponding 3.alpha.-carboxylic acid ester followed by work-up (precipitation from an organic solvent/water mixture and crystallisation from an apolar organic solvent), followed which may be followed by mild hydrolysis of the ester to produce the free 3.alpha-OH compound allopregnanolone. The post Mitsonobu work-up reduces the level of the 2(3)-ene elimination impurity I and the mild ester hydrolysis minimises the production of the 17.alpha.- epimeric impurity II.

  本发明涉及一种无需柱层析即可制备和纯化异孕甾醇酮及其中间体的高效工业适用工艺。制备方法是将相应的 3-beta.-OH 化合物进行立体转化，生成相应的 3.α.- 羧酸酯，然后进行精制（从有机溶剂/水混合物中沉淀，再从无极性有机溶剂中结晶），最后对酯进行温和水解，生成游离的 3.α-OH 化合物别孕烯醇酮。Mitsonobu 后加工可减少 2(3)- 烯消除杂质 I 的含量，而温和的酯水解可最大限度地减少 17.α.- 二元杂质 II 的产生。
• [EN] 3-HYDROXY-5-PREGNANE-20-ONE DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ DE 3-HYDROXY-5-PREGNANE-20-ONE ET SON UTILISATION<br/>[ZH] 3-羟基-5-孕烷-20-酮衍生物及其用途
  申请人：NANJING NORATECH PHARMACEUTICALS CO LTD

  公开号：WO2021027744A1

  公开（公告）日：2021-02-18

  本发明提供式I所示的3-羟基-5-孕烷-20酮衍生物或其药学上可接受的盐，及包含所述衍生物或其药学上可接受盐的药物组合物。本发明的衍生物或其药学上可接受的盐或包含上述衍生物或盐的药物组合物可以制备用于治疗中枢神经系统异常引起的疾病的药物。