23(R)-methyl-3α-hydroxy-5β-cholan-24-oic acid | 1041046-24-5

• 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: 23(R)-methyl-3α-hydroxy-5β-cholan-24-oic acid
• 英文别名: 23(R)-methyl-3a-hydroxy-5β-cholan-24-oic acid；(2R,4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
• CAS: 1041046-24-5
• 化学式: C₂₅H₄₂O₃
• 分子量: 390.607
• InChiKey: DNTJEWIAGFGJKP-PHLNUGOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 3α-tetrahydropyranyloxy-5β-cholan-24-oate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以0.41 g的产率得到23(S)-methyl-3α-hydroxy-5β-cholan-24-oic acid
  参考文献：
  名称：

  BILE ACID ANALOG TGR5 AGONISTS

  摘要：

  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。

  公开号：

  US20140206657A1

文献信息

• TGR5 MODULATORS AND METHODS OF USE THEROF
  申请人：Pellicciari Roberto

  公开号：US20100152151A1

  公开（公告）日：2010-06-17

  The invention relates to compounds of Formula A: or a salt, solvate, hydrate, or prodrug thereof. The compounds of Formula A are TGR5 modulators useful for the treatment of various diseases, including metabolic disease, inflammatory disease, liver disease, autoimmune disease, cardiac disease, kidney disease, cancer, and gastrointestinal disease.

  该发明涉及Formula A的化合物：或其盐、溶剂合物、水合物或前药。Formula A的化合物是TGR5调节剂，可用于治疗各种疾病，包括代谢性疾病、炎症性疾病、肝脏疾病、自身免疫疾病、心脏疾病、肾脏疾病、癌症和消化系统疾病。
• TGR5 modulators and methods of use thereof
  申请人：Intercept Pharmaceuticals, Inc.

  公开号：EP1947108A1

  公开（公告）日：2008-07-23

  The invention relates to compounds of Formula I: or a pharmaceutically effective salt, solvate, hydrate, or prodrug thereof, wherein: R1 is hydrogen, hydroxy, or halogen; R2 is hydrogen or α-hydroxy; R3 is hydroxy, NH(CH2)mSO3H, or NH(CH2)nCO2H; R4 is hydrogen, alkyl, or halogen; R5 is unsubstituted or substituted alkyl, or aryl; R6 is hydrogen or R5 and R6 taken together with the carbons to which they are attached form a ring of size 3, 4, 5, or 6 atoms; m is an integer 0, 1, 2, 3, 4, or 5, and n is an integer 0, 1, 2, 3, 4, or 5. The compounds of Formula I are TGR5 modulators useful for the treatment of various diseases.

  本发明涉及式I的化合物：或其药学有效的盐、溶剂化合物、水合物或前药，其中：R1为氢、羟基或卤素；R2为氢或α-羟基；R3为羟基、NH(CH2)mSO3H或NH( )nCO2H；R4为氢、烷基或卤素；R5为未取代或取代的烷基或芳基；R6为氢或R5和R6共同与它们所连接的碳形成大小为3、4、5或6原子的环；m为整数0、1、2、3、4或5，n为整数0、1、2、3、4或5。式I的化合物是TGR5调节剂，可用于治疗各种疾病。
• TGR5 Modulators and Methods of Use Thereof
  申请人：Pellicciari Roberto

  公开号：US20120115832A1

  公开（公告）日：2012-05-10

  The invention relates to compounds of Formula A: or a salt, solvate, hydrate, or prodrug thereof. The compounds of Formula A are TGR5 modulators useful for the treatment of various diseases, including metabolic disease, inflammatory disease, liver disease, autoimmune disease, cardiac disease, kidney disease, cancer, and gastrointestinal disease.

  本发明涉及A式化合物：或其盐、溶剂合物、水合物或前药。A式化合物是TGR5调节剂，可用于治疗各种疾病，包括代谢性疾病、炎症性疾病、肝脏疾病、自身免疫性疾病、心脏疾病、肾脏疾病、癌症和胃肠疾病。
• 23-Substituted Bile Acids as TGR5 Modulators and Methods of Use Thereof
  申请人：Pellicciari Roberto

  公开号：US20110003782A1

  公开（公告）日：2011-01-06

  The invention relates to compounds of Formula A: (A) or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof. The compounds of Formula A are TGR5 modulators useful for the treatment of various diseases, including obesity, insulin sensitivity, inflammation, cholestasis, and bile desaturation.

  本发明涉及A式化合物：（A），或其药学上可接受的盐、溶剂化合物、水合物或前药。A式化合物是TGR5调节剂，可用于治疗各种疾病，包括肥胖症、胰岛素敏感性、炎症、胆汁淤积和胆汁脱饱和。
• TGR5 modulators and method of use thereof
  申请人：Intercept Pharmaceuticals, Inc.

  公开号：EP2698375A2

  公开（公告）日：2014-02-19

  The invention relates to compounds of Formula A: (A) or a salt, solvate, hydrate, or prodrug thereof. The compounds of Formula A are TGR5 modulators useful for the treatment of various diseases, including metabolic disease, inflammatory disease, liver disease, autoimmune disease, cardiac disease, kidney disease, cancer and gastrointestinal disease.

  本发明涉及式 A 的化合物：(A)或其盐、溶液剂、水合物或原药。式 A 的化合物是 TGR5 调节剂，可用于治疗各种疾病，包括代谢性疾病、炎症性疾病、肝病、自身免疫性疾病、心脏病、肾病、癌症和胃肠道疾病。