2-[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic 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: 2-[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
• 化学式: C₂₆H₄₅NO₆S
• 分子量: 499.7
• InChiKey: AWDRATDZQPNJFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY BOWEL DISEASE, CONTAINING, AS ACTIVE INGREDIENT, TAURODEOXYCHOLIC ACID OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：SHAPERON INC.

  公开号：US20210386761A1

  公开（公告）日：2021-12-16

  The present invention relates to a composition for prevention or treatment of inflammatory bowel disease, which contains taurodeoxycholic acid or a pharmaceutically acceptable salt thereof as an active ingredient. Specifically, taurodeoxycholic acid and a pharmaceutically acceptable salt thereof can be used as an active ingredient of a composition for prevention or treatment of inflammatory bowel disease since it has been confirmed that the clinical symptoms and histopathological symptoms caused by inflammatory bowel disease are alleviated and the increase in inflammatory cells in bowels and the production of pro-inflammatory cytokines are suppressed by using a salt of taurodeoxycholic acid.