(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S)-3,7-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]pentanoic 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: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S)-3,7-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]pentanoic acid
• 化学式: C₂₄H₄₀O₄
• 分子量: 392.6
• InChiKey: RUDATBOHQWOJDD-WQJIWXJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 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：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• METHOD FOR PREPARING BILE ACID DERIVATIVE BY USING CONTINUOUS FLOW REACTION
  申请人：DAEWOONG BIO INC.

  公开号：US20200283470A1

  公开（公告）日：2020-09-10

  Provided herein is a method of preparing a bile acid derivative using a continuous flow reaction. When bile acid derivatives are synthesized using a continuous flow reaction according to the present invention, the reaction is very safe compared to an existing batch-type reaction, the reaction time is significantly reduced, and high-quality bile acid derivatives may be synthesized with high efficiency. In particularly, according to the present invention, a hydrogenation reaction proceeds under substantially water-free reaction conditions, and thus the conversion rate (UDCA:CDCA) of a UDCA hydrogenation reaction may be significantly enhanced.

  本文提供了一种利用连续流反应制备胆酸衍生物的方法。根据本发明，当使用连续流反应合成胆酸衍生物时，与现有的批量反应相比，反应非常安全，反应时间显著缩短，并且可以高效合成高质量的胆酸衍生物。特别是根据本发明，在几乎无水的反应条件下进行氢化反应，因此可以显著提高UDCA氢化反应的转化率（UDCA:CDCA）。
• Process for the enzymatic regeneration of redox cofactors
  申请人：ANNIKKI GMBH

  公开号：US10370691B2

  公开（公告）日：2019-08-06

  A process for the enzymatic regeneration of the redox cofactors NAD+/NADH and NADP+/NADPH in a one-pot reaction, wherein, as a result of at least two further enzymatically catalyzed redox reactions proceeding in the same reaction batch (product-forming reactions), one of the two redox cofactors accumulates in its reduced form and, respectively, the other one in its oxidized form, characterized in that a) in the regeneration reaction which reconverts the reduced cofactor into its original oxidized form, oxygen or a compound of general formula R1C(O)COOH is reduced, and b) in the regeneration reaction which reconverts the oxidized cofactor into its original reduced form, a compound of general formula R2CH(OH)R3 is oxidized and wherein R1, R2 and R3 in the compounds have different meanings.

  一种在单锅反应中用酶再生氧化还原辅助因子 NAD+/NADH 和 NADP+/NADPH 的工艺，其中，由于在同一批反应（生成物反应）中进行了至少两个酶催化的氧化还原反应，两种氧化还原辅助因子中的一种以其还原形式积累，另一种分别以其氧化形式积累、其特征在于：a) 在将还原型辅助因子重新转化为原始氧化型的再生反应中，氧或通式 R1C(O)COOH 的化合物被还原；b) 在将氧化型辅助因子重新转化为原始还原型的再生反应中，通式 R2CH(OH)R3 的化合物被氧化，其中化合物中的 R1、R2 和 R3 具有不同的含义。
• Polymeric bile acid nanocompositions targeting the pancreas and colon
  申请人：Yale University

  公开号：US10864170B2

  公开（公告）日：2020-12-15

  Pharmaceutical composition containing poly(bile) acid (PBA) polymers for oral delivery of agent(s) show enhanced uptake by the pancreas, liver, and colon. These nanoparticles show significant retention in the pancreas and colon and are therefore useful for selective delivery. The examples demonstrate efficacy of oral administration of insulin to treat diabetes, and oral induction of tolerance by administration of insulin or ovalbumin in combination with rapamycin. Diabetic animals treated with the insulin or insulin with rapamycin showed normalization of blood glucose levels.

  用于口服给药的含有聚（胆汁）酸（PBA）聚合物的药物组合物显示，胰腺、肝脏和结肠对药物的吸收能力增强。这些纳米颗粒在胰腺和结肠中具有明显的保留作用，因此可用于选择性给药。这些实例证明了口服胰岛素治疗糖尿病的疗效，以及口服胰岛素或卵清蛋白联合雷帕霉素诱导耐受的疗效。使用胰岛素或胰岛素联合雷帕霉素治疗的糖尿病动物的血糖水平趋于正常。
• Sialyltransferase inhibitors and uses thereof
  申请人：Academia Sinica

  公开号：US10889611B2

  公开（公告）日：2021-01-12

  Disclosed herein are novel sialyltransferase inhibitors, and compositions and methods for treating diseases and/or conditions associated with the activation of sialyltransferase, such as a cancer, an immune disease or an inflammatory disease.

  本文公开了新型硅氨基转移酶抑制剂，以及用于治疗与硅氨基转移酶活化相关的疾病和/或病症（如癌症、免疫性疾病或炎症性疾病）的组合物和方法。
• Pharmaceutical composition comprising berberine ursodeoxycholic acid salt for the treatment of various diseases or disorders
  申请人：SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD.

  公开号：US10988471B2

  公开（公告）日：2021-04-27

  The invention provides various novel compositions of berberine in combination with pharmacologically active organic acids, and related methods of their use in treating various diseases or disorders. The invention further provides various novel compounds prepared from berberine and pharmacologically active organic acids and prepared from ursodeoxycholic acid and pharmacologically active organic bases, and pharmaceutical compositions thereof, and methods of their preparation and therapeutic use in treating and/or preventing various diseases or disorders. The compounds and pharmaceutical compositions of the invention can be utilized to treat various diseases or disorders, such as diabetes, diabetic complications, dyslipidemia, hyperlipidemia, obesity, metabolic syndromes, pre-diabetes, atherosclerosis, heart diseases, neurodegenerative diseases, sarcopenia, muscle atrophy, inflammation, cancer and liver diseases and conditions such as fatty liver, non-alcoholic fatty liver disease, non-alcoholic steatohepatitis, cholestatic liver diseases or graft-versus-host disease of the liver. The compounds of this invention are also useful in improving liver functions in chronic viral associated liver diseases and alcohol-related liver diseases.

  本发明提供了小檗碱与药理活性有机酸结合的各种新型组合物及其用于治疗各种疾病或失调的相关方法。本发明进一步提供了由小檗碱和药理活性有机酸制备的和由熊去氧胆酸和药理活性有机碱制备的各种新型化合物及其药物组合物，以及它们在治疗和/或预防各种疾病或紊乱中的制备和治疗方法。本发明的化合物和药物组合物可用于治疗各种疾病或失调，如糖尿病、糖尿病并发症、血脂异常、高脂血症、肥胖症、代谢综合征、糖尿病前期、动脉粥样硬化、心脏病、神经退行性疾病、骨质疏松症等、神经退行性疾病、肌肉疏松症、肌肉萎缩、炎症、癌症和肝脏疾病，如脂肪肝、非酒精性脂肪肝、非酒精性脂肪性肝炎、胆汁淤积性肝病或肝脏移植物抗宿主疾病。本发明的化合物还可用于改善慢性病毒相关性肝病和酒精相关性肝病的肝功能。