deoxycholic acid | 886203-13-0

• 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: deoxycholic acid
• 英文别名: Desoxycholsaeure；Deoxycholsaeure；4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoic acid
• CAS: 886203-13-0
• 化学式: C₂₄H₄₀O₄
• 分子量: 392.579
• InChiKey: KXGVEGMKQFWNSR-DVASNTQSSA-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

反应信息

• 作为反应物：
  描述：

  deoxycholic acid 、 对氨基苯酚 在 2-bromo-1-methyl-pyridinium iodide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以75%的产率得到4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid (4-hydroxy-phenyl)-amide
  参考文献：
  名称：

  Electrochemical detector for high performance liquid chromatography. IV. Analysis of fatty acids, bile acids and prostaglandins by derivatization to an electrochemically active form.

  摘要：

  为分析脂肪酸、胆汁酸和前列腺素，开发了一种带有电化学检测器（ECD）的高效液相色谱（HPLC）程序。在 2-bromo-1-methylpyridinium iodide 和三乙胺存在下，这些羧酸通过与对氨基苯酚反应转化为对羟基苯胺。苯胺在双电子过程中被氧化，并通过反相 HPLC-ECD 进行分析。硬脂酸、去氧胆酸和前列腺素 F2a 的检出限分别为 0.5、2 和 2ng。该方法适用于豚鼠血浆中游离脂肪酸和人胆汁中胆汁酸的测定。

  DOI：

  10.1248/cpb.28.2941

文献信息

• [EN] BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES<br/>[FR] CONJUGUÉS INHIBITEURS DE GCPII-ACIDE BILIAIRE POUR TRAITER DES MALADIES INFLAMMATOIRES
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2021155167A1

  公开（公告）日：2021-08-05

  GCPII inhibitors comprising 2-(phosphonomethyl) pentanedioic acid (2-PMPA) conjugated to a bile acid and their use for treating a disease or condition associated with elevated levels of GCPII, including inflammatory bowel disease.

  GCPII抑制剂包括2-(磷酸甲基)戊二酸（2-PMPA）与胆酸结合，并且它们用于治疗与GCPII水平升高相关的疾病或症状，包括炎症性肠病。
• SYNTHETIC BILE ACID COMPOSITIONS AND METHODS
  申请人：Moriarty Robert M.

  公开号：US20080318870A1

  公开（公告）日：2008-12-25

  Bile acids and related compositions and methods of synthesis and use. More specifically, deoxycholic acid and related compositions, said compositions being free of all moieties of animal origin and free of pyrogenic moieties.

  胆汁酸及其相关组合物的合成和使用方法。更具体地说，去氧胆酸和相关组合物，这些组合物不含任何动物来源的成分和无热原成分。
• INJECTABLE COMPOSITION FOR LOCALIZED FAT REDUCTION WITHOUT PAIN, EDEMA, AND SIDE EFFECTS, AND METHOD FOR PREPARING SAME
  申请人：AMI Pharm Co., Ltd.

  公开号：EP3479827A1

  公开（公告）日：2019-05-08

  The present invention relates to a composition for reducing localized fat without a pain, edema, and side effect, and a method for preparing the same. More specifically, the present invention relates to a composition comprising glycocholic acid (or a salt thereof) or taurocholic acid (or a salt thereof) and phosphatidylcholine (PPC) at a particular mixing ratio for reducing localized fat without side effects such as a pain, edema, necrosis of muscle cells, fibroblasts and vascular endothelial cells other than adipocytes, anesthesia of administration sites, extensive swelling, erythema, induration, paresthesia, nodule, pruritus, burning sensation, nerve injury, and dysphagia, and a method for preparing the same. The DCA single injectable preparation or PPC injectable preparation in which DCA is mixed as a solubilizing agent, which is the conventional injectable preparations for reducing localized fat, has been known to accompany such side effects as a pain, anesthesia, extensive swelling, localized edema, erythema, induration, paresthesia, nodule, pruritus, burning sensation, dysphagia, and the like due to necrosis of cells caused inevitably by lysing not only adipocytes but also fibroblasts, vascular endothelial cells and skeletal muscle cells. Thereby, patients have been complaining of pain, discomfort and anxiety, with low compliance. On the other hand, the injectable composition for reducing localized fat according to the present invention is a safe and stable formulation, selectively lyses adipocytes, and has an excellent effect on inducing apoptosis of adipocytes, so that it is an excellent composition improving the compliance and quality of patient's life without above-mentioned side effects.

  本发明涉及一种无痛、无水肿、无副作用的减少局部脂肪的组合物及其制备方法。更具体地说，本发明涉及一种包含甘氨胆酸（或其盐）或牛磺酸（或其盐）和磷脂酰胆碱（PPC）的组合物，该组合物以特定的混合比例制成，用于减少局部脂肪，且无疼痛、水肿、肌肉细胞坏死、纤维细胞和血管内皮细胞坏死等副作用、肌肉细胞、成纤维细胞和血管内皮细胞（脂肪细胞除外）的坏死、给药部位的麻醉、大面积肿胀、红斑、压痕、麻痹、结节、瘙痒、灼烧感、神经损伤和吞咽困难等副作用，以及制备方法。 众所周知，DCA 单一注射制剂或将 DCA 作为增溶剂混合在其中的 PPC 注射制剂是用于减少局部脂肪的传统注射制剂，会伴有疼痛、麻醉、大面积肿胀、局部水肿、吞咽困难等副作用、大面积肿胀、局部水肿、红斑、压痕、麻痹、结节、瘙痒、灼烧感、吞咽困难等副作用，这些副作用是由细胞坏死引起的，而细胞坏死不仅会导致脂肪细胞坏死，还会导致成纤维细胞、血管内皮细胞和骨骼肌细胞坏死。因此，患者一直抱怨疼痛、不适和焦虑，而且依从性很低。另一方面，根据本发明的用于减少局部脂肪的注射组合物是一种安全稳定的制剂，可选择性地裂解脂肪细胞，并在诱导脂肪细胞凋亡方面具有极佳的效果，因此它是一种可提高患者依从性和生活质量的优良组合物，且无上述副作用。
• METHOD FOR DETERMININGIN VITRO
  申请人：Clayton Pharmaceuticals LLC

  公开号：EP3423829A1

  公开（公告）日：2019-01-09
• METHOD FOR DETERMINING IN VITRO BIOEQUIVALENCE OF A SUCRALFATE SUSPENSION SAMPLE TO A SUCRALFATE SUSPENSION REFERENCE LISTED DRUG (RLD)
  申请人：Clayton Pharmaceuticals LLC

  公开号：EP3423829B1

  公开（公告）日：2020-10-28