(6R,10S,13R,17R)-6-ethyl-10,13-dimethyl-17-[(2R)-5-oxohexan-2-yl]-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

• 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: (6R,10S,13R,17R)-6-ethyl-10,13-dimethyl-17-[(2R)-5-oxohexan-2-yl]-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
• 化学式: C₂₇H₄₂O₃
• 分子量: 414.6
• InChiKey: OUNRCHVPBUVQFN-AHRWNAGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• BILE ACID ANALOG TGR5 AGONISTS
  申请人：City of Hope

  公开号：US20140206657A1

  公开（公告）日：2014-07-24

  Provided herein are bile acid analogues and derivatives, methods of synthesizing bile acid analogues and derivatives and their use in treating diabetes and liver disease.

  本文提供了胆酸类似物和衍生物，合成胆酸类似物和衍生物的方法以及它们在治疗糖尿病和肝病中的应用。
• TGR5 AGONIST COMPLEXES FOR TREATING DIABETES AND CANCER
  申请人：City of Hope

  公开号：US20170196890A1

  公开（公告）日：2017-07-13

  Provided herein are complexes of metformin or metformin analogues and a TGR5 ligand that are useful in treating diseases including diabetes, cardiovascular disease, and cancer.