2-(20-Oxo-5β-pregnan-3α-yl)propandioic acid | 1256911-43-9

• 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: 2-(20-Oxo-5β-pregnan-3α-yl)propandioic acid
• 英文别名: 2-[(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]propanedioic acid
• CAS: 1256911-43-9
• 化学式: C₂₄H₃₆O₅
• 分子量: 404.547
• InChiKey: KORNIBOKIFTEHU-KXBQFTKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  20,20-(ethylendioxy)-5β-pregnan-3β-yl-tosylate 在 水 、 sodium 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 、 甲苯 为溶剂， 反应 21.0h， 生成 2-(20-Oxo-5β-pregnan-3α-yl)propandioic acid
  参考文献：
  名称：

  STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM

  摘要：

  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。

  公开号：

  US20120071453A1

文献信息

• US8575376B2
  申请人：——

  公开号：US8575376B2

  公开（公告）日：2013-11-05
• [EN] STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM<br/>[FR] COMPOSÉS ANIONIQUES STÉROÏDES, PROCÉDÉ DE PRODUCTION DE CEUX-CI, UTILISATION ET PRÉPARATION PHARMACEUTIQUE LES COMPRENANT
  申请人：USTAV ORGANICKE CHEMIE BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY V V I

  公开号：WO2010136000A2

  公开（公告）日：2010-12-02

  The presented invention applies to the compounds with general formula (I), where R1 stands for as mentioned previously in the compound specifications, the production process of the compounds with general formula (I), where R1 stands for as mentioned previously in the compound specifications, application of the compounds with general formula (I) 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) used for production of veterinary and human pharmaceutical preparations used in treatment of above mentioned diseases as well as in production of substances used in experimental research, analytic chemistry, dietary supplements or cosmetic preparations.