[(1S,12R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: [(1S,12R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl acetate
• 化学式: C₂₂H₃₀O₄
• 分子量: 358.5
• InChiKey: PTGGVIKFNQSFBY-WAKDWFRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  4

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：EP3482797A1

  公开（公告）日：2019-05-15

  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.

  本发明提供了cc-结晶素聚集抑制剂和使用cc-结晶素聚集抑制剂治疗或预防白内障的方法，例如治疗或预防患有白内障或有患白内障风险的受试者的白内障。本发明进一步提供了筛选调节蛋白质热稳定性的化合物的高通量方法，该方法包括将蛋白质与多种测试化合物中的每一种接触；以及(b)测量蛋白质在多种测试化合物中的每一种存在下的熔化转变（Tm），其中将表观Tm降低或升高至少2个标准差的化合物鉴定为药理学蛋白质伴侣素。
• 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.