(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[[(3S,8aS,11S,12aR,14bS)-11-carboxy-4,4,8a,11,14b-pentamethyl-14-oxo-2,3,4a,5,6,6a,6b,7,8,9,10,12,12a,14a-tetradecahydro-1H-picen-3-yl]oxy]-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[[(3S,8aS,11S,12aR,14bS)-11-carboxy-4,4,8a,11,14b-pentamethyl-14-oxo-2,3,4a,5,6,6a,6b,7,8,9,10,12,12a,14a-tetradecahydro-1H-picen-3-yl]oxy]-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₄₀H₅₈O₁₆
• 分子量: 794.9
• InChiKey: DDFLCVAQYRZXJJ-JMEZKHHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  56
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  267
• 氢给体数：
  8
• 氢受体数：
  16

文献信息

• [EN] NON-SURGICAL METHOD OF TREATMENT FOR CATARACT<br/>[FR] PROCÉDÉ NON CHIRURGICAL DE TRAITEMENT DE LA CATARACTE
  申请人：UNIV MICHIGAN

  公开号：WO2014015024A2

  公开（公告）日：2014-01-23

  The invention provides inhibitors of cc-crystallin aggregation and methods of using cc- 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 (Tm) of the protein in the presence of each of the plurality of test compounds, wherein a compound that decreases or increases the apparent Tm by at least 2 standard deviations is identified as a pharmacological protein chaperone.