(6R)-6-[(8S,9S,10R,13R,14S,17R)-1-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid

• 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: (6R)-6-[(8S,9S,10R,13R,14S,17R)-1-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
• 化学式: C₂₇H₄₂O₄
• 分子量: 430.6
• InChiKey: MXLVKKFZEDCSBR-QFYYTOPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• COMPOUND AND METHOD FOR THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE CONDITIONS
  申请人：Swansea University

  公开号：EP2961400A2

  公开（公告）日：2016-01-06
• [EN] COMPOUND AND METHOD FOR THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE CONDITIONS<br/>[FR] COMPOSÉ ET PROCÉDÉ POUR LE TRAITEMENT ET LE DIAGNOSTIC D'ÉTATS NEURODÉGÉNÉRATIFS
  申请人：UNIV SWANSEA

  公开号：WO2014132052A2

  公开（公告）日：2014-09-04

  A reagent selected from cholestenoic acid or an inhibitor of an enzyme in the cholestenoic acid biosynthetic or metabolic pathway for use in the treatment of neurodegenerative conditions. In particular, the reagent is a cholestenoic acid of a particular form, such as 3β,7α-dihydroxycholest-5 -en-26-oic (3β,7α-di HCA), not previously associated with neural tissue or CSF. Pharmaceutical compositions, methods of treatment or prevention of neurodegenerative conditions as well as diagnostic methods and novel biomarkers form further aspects of the invention.