Glycyrrhetinsaeure | 471-53-4

• 物质功能分类: 生物化工 - 提取物
• 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: Glycyrrhetinsaeure
• 英文别名: (2S,4aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
• CAS: 471-53-4；1449-05-4；10379-72-3；10379-78-9；90365-60-9；118492-17-4；146236-30-8
• 化学式: C₃₀H₄₆O₄
• 分子量: 470.693
• InChiKey: MPDGHEJMBKOTSU-IYTIXWHISA-N

物化性质

• 熔点：
  331-333°C
• 沸点：
  492.11°C (rough estimate)
• 密度：
  0.9967 (rough estimate)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• LogP：
  6.570 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S24/25
• 危险类别码：
  R22,R36
• WGK Germany：
  2,3
• 海关编码：
  2938909030
• 危险品运输编号：
  NONH for all modes of transport
• RTECS号：
  RK0180000

制备方法与用途

Glycyrrhetinic acid 是天然产物甘草酸的三萜苷元成分，在癌细胞系中表现出显著的抗增殖和诱导凋亡的生物活性。

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.
• COMPOUNDS AND PRODRUGS THEREOF FOR THE TREATMENT OF OPHTHALMIC DISEASE
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20200138832A1

  公开（公告）日：2020-05-07

  The invention provides inhibitors of α-crystallin aggregation, including prodrugs of a steroid and/or sterol, and methods of using said α-crystallin aggregation inhibitors to, e.g., treat or prevent cataracts in a subject having or at risk of developing cataracts.