3β,5α-Dihydroxycholestan-6-on

• 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: 3β,5α-Dihydroxycholestan-6-on
• 英文别名: 3β-hydroxy-(5α)-cholestan-6-one；5alpha-Cholestan-3beta-ol-6-one；(3S,5S,10R,13R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
• 化学式: C₂₇H₄₆O₂
• 分子量: 402.661
• InChiKey: JQMQKOQOLPGBBE-JJMJUPCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• INHIBITORS OF ALPHA-CRYSTALLIN AGGREGATION FOR THE TREATMENT FOR CATARACT
  申请人：The Regents of The University of Michigan

  公开号：EP2874709B1

  公开（公告）日：2018-12-19
• Non-Surgical Method of Treatment for Cataract
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20170020895A1

  公开（公告）日：2017-01-26

  The invention provides inhibitors of α-crystallin aggregation and methods of using α-crystallin aggregation inhibitors to, e.g., treat or prevent cataracts in a subject having or at risk of developing cataracts. The invention further provides high throughput methods of screening compounds for modulation of protein thermal stability, the method comprising contacting a protein with each of a plurality of test compounds; and (b) measuring the melting transition (T m ) of the protein in the presence of each of the plurality of test compounds, wherein a compound that decreases or increases the apparent T m by at least 2 standard deviations is identified as a pharmacological protein chaperone.