(2S,4R)-4-[(10S,13R,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic 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: (2S,4R)-4-[(10S,13R,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
• 化学式: C₂₅H₃₈O₄
• 分子量: 402.6
• InChiKey: FNHCVZFFIXCRHR-NGZJAXCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

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：US10166246B2

  公开（公告）日：2019-01-01

  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.

  本文提供的二甲双胍或二甲双胍类似物与 TGR5 配体的复合物可用于治疗糖尿病、心血管疾病和癌症等疾病。
• 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.