3alpha-Acetoxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid | 7432-73-7

• 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: 3alpha-Acetoxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
• 英文别名: (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-7,12-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: 7432-73-7
• 化学式: C₂₆H₄₂O₆
• 分子量: 450.6
• InChiKey: JHGQJZQUDSQYBO-NNWKKCEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzyl cholate 在 吡啶 、 4-二甲氨基吡啶 、 palladium on activated carbon 、 氢气 作用下， 以 四氢呋喃 为溶剂， 55.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 生成 3alpha-Acetoxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
  参考文献：
  名称：

  肠道共生体通过次级胆汁酸生物合成途径缓解 MASH

  摘要：

  研究发现肠道微生物群在代谢功能障碍相关脂肪性肝炎（MASH）的进展中发挥着重要作用，但其机制尚未确定。在这里，通过开发基于点击化学的富集策略，我们鉴定了几种微生物衍生的胆汁酸，包括以前未表征的3-琥珀酰胆酸（3-sucCA），它与肝组织患者的肝损伤呈负相关。 -活检证实的代谢功能障碍相关的脂肪肝病（MAFLD）。通过筛选人类细菌分离株，我们确定了能够有效生产 3-sucCA 和 3-sucCA 的菌株。通过基于活性的蛋白质纯化和鉴定，我们鉴定了一种负责 3-sucCA 生物合成的酶，注释为 β-内酰胺酶。此外，我们发现 3-sucCA 是一种流明限制代谢物，可通过促进 的生长来缓解 MASH。总之，我们的数据提供了对肠道微生物群-肝脏轴的新见解，可用于增强 MASH 的管理。

  DOI：

  10.1016/j.cell.2024.03.034

文献信息

• Steroid kit and foamable composition and uses thereof
  申请人：Friedman Doron

  公开号：US20060018937A1

  公开（公告）日：2006-01-26

  A composition and therapeutic kit including an aerosol packaging assembly including a container accommodating a pressurized product and an outlet capable of releasing a foamable composition, including a steroid as a foam. The pressurized product includes a foamable composition including: a container accommodating a pressurized product; and an outlet capable of releasing the pressurized product as a foam; wherein the pressurized product comprises a foamable composition including: i. a steroid; ii. at least one organic carrier selected from the group consisting of a hydrophobic organic carrier, a polar solvent, an emollient and mixtures thereof, at a concentration of about 2% to about 50% by weight; iii. a surface-active agent; iv. about 0.01% to about 5% by weight of at least one polymeric additive selected from the group consisting of a bioadhesive agent, a gelling agent, a film forming agent and a phase change agent; v. water; and vi. liquefied or compressed gas propellant at a concentration of about 3% to about 25% by weight of the total composition. The composition further may include a therapeutically active foam adjuvant, selected from the group consisting of a fatty alcohol, a fatty acid, a hydroxyl fatty acid; and mixtures thereof.

  一种组合物和治疗包，包括一个气雾剂包装组件，其中包括一个容纳加压产品的容器和一个能够以泡沫形式释放可发泡组合物（包括类固醇）的出口。加压产品包括可发泡组合物，其中可发泡组合物包括：容纳加压产品的容器；以及能够将加压产品作为泡沫释放的出口；其中加压产品包括可发泡组合物，其中可发泡组合物包括： i. 类固醇； ii. 至少一种有机载体，选自由疏水性有机载体、极性溶剂、润肤剂及其混合物组成的组，浓度为约 2%至约 50%（按重量计）； iii.约 0.01%至约 5%（按重量计）的至少一种聚合物添加剂，该聚合物添加剂选 自生物粘合剂、胶凝剂、成膜剂和相变剂组成的组； v. 水；以及 vi. 液化或压缩气体推进剂，其浓度约为总组合物的 3%至约 25%（按重量计）。该组合物还可包括一种治疗活性泡沫佐剂，选自脂肪醇、脂肪酸、羟基脂肪酸及其混合物组成的组。
• Oleaginous pharmaceutical and cosmetic foam
  申请人：Tamarkin Dov

  公开号：US20070292461A1

  公开（公告）日：2007-12-20

  The invention relates to stable pharmaceutical or cosmetic foam compositions containing certain active agents, having unique therapeutic properties and methods of treatment using such compositions. The foamable composition includes at least one solvent comprising polyethylene glycol (PEG) or PEG derivative and mixtures thereof, or comprising propylene glycol, wherein the solvent is present at a concentration of about 70% to about 96.5% by weight of the total composition, at least a non-ionic surface-active agent at a concentration of about 0.1% to less than about 10% by weight of the total composition.
• QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF
  申请人：TAMARKIN Dov

  公开号：US20080206161A1

  公开（公告）日：2008-08-28

  The present invention relates to an emulsion steroid composition as a foamable vehicle in which the vehicle is stable or stabilized by the presence of at least one quiesence agent; therapeutical kit containing such composition; to methods of treatment using such composition; to methods of enhancing the stability of such composition.
• SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT
  申请人：TAMARKIN Dov

  公开号：US20080292560A1

  公开（公告）日：2008-11-27

  A carrier, composition or foam formulation comprising; a silicone; about 25% to about 98% of a solvent selected from the group consisting of (1) a propylene glycol or derivative and (2) a polyethylene glycol (PEG) or derivative or mixtures thereof; 0% to about 48% of at least one secondary solvent; and an Accommodating Agent or Complex; and methods of treatment. A hygroscopic silicone in glycol containing composition includes at least one hygroscopic substance at a concentration sufficient to provide an Aw value of at least 0.9 and a therapeutic agent.
• HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES
  申请人：Tamarkin Dov

  公开号：US20080299220A1

  公开（公告）日：2008-12-04

  A waterless composition suitable for delivery of an active agent to a body surface or cavity includes a vehicle having about 70% to about 99% by weight of a hydrophilic polar solvent, said hydrophilic solvent selected from the group consisting of (i) a mixture of two or more different polyethylene glycols (PEGs), wherein at least one PEG is a high molecular weight PEG having a melting point greater than 25° C.; and (ii) propylene glycol (PG); about 0% to about 10% of at least one surface active agent; about 0% to about 5% of a polymeric agent; about 0% to about 30% of a secondary hydrophilic solvent; and about 0% to about 5% of a silicone oil; and about 3% to about 25% hydrophobic propellant. The composition is otherwise substantially free of a hydrophobic solvent and includes at least one of a surface active agent and a polymeric agent. The vehicle and the propellant are sufficiently miscible that the components may be homogeneously distributed with mild shaking.