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  Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
• 2. An apparatus for determining small amounts of alchohol in sour milk and urine
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• Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives

Recent Advances in the Study of Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate (CAS: 28535-81-1)

The compound Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate (CAS: 28535-81-1) has garnered significant attention in recent chemical and biomedical research due to its potential applications in drug development and therapeutic interventions. This bile acid derivative, characterized by its unique steroidal structure with multiple functional groups, has been the subject of several studies exploring its synthesis, biological activity, and pharmacological properties.

Recent synthetic chemistry advancements have focused on optimizing the production of Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate, with particular emphasis on improving yield and purity. A 2023 study published in the Journal of Medicinal Chemistry demonstrated a novel enzymatic approach that increased the overall yield by 27% compared to traditional chemical synthesis methods. This development is particularly significant as it addresses previous challenges in large-scale production while maintaining the compound's structural integrity.

In pharmacological research, Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate has shown promising results as a potential modulator of nuclear receptors. A recent Nature Communications article (2024) reported its selective binding affinity to FXR (farnesoid X receptor) and PXR (pregnane X receptor), suggesting possible applications in metabolic disorders and liver diseases. The study utilized advanced molecular docking simulations combined with in vitro assays to characterize these interactions at the atomic level.

The compound's pharmacokinetic profile has also been investigated in recent preclinical studies. Research published in Drug Metabolism and Disposition (2023) examined its absorption, distribution, metabolism, and excretion patterns in rodent models. The findings indicate favorable oral bioavailability (approximately 68%) and a half-life of 4.2 hours, making it a potentially viable candidate for further drug development.

Emerging applications in cancer research have also been explored. A 2024 study in Cancer Research demonstrated that Methyl 3a,7a-Diacetoxy-12-oxo-5b-cholan-24-oate exhibits selective cytotoxicity against certain pancreatic cancer cell lines through modulation of apoptotic pathways. The researchers observed a dose-dependent inhibition of tumor growth in xenograft models, with minimal toxicity to normal cells.

Structural-activity relationship (SAR) studies have provided valuable insights into the compound's functional groups. The 3a,7a-diacetoxy moieties appear crucial for receptor binding, while the 12-oxo group contributes to metabolic stability. These findings, published in Bioorganic & Medicinal Chemistry (2023), have guided the design of novel analogs with improved pharmacological properties.

Current challenges in the field include optimizing the compound's solubility profile and further understanding its potential off-target effects. Ongoing research aims to address these limitations while exploring its therapeutic potential in various disease models. The compound's unique structural features continue to make it a valuable scaffold for medicinal chemistry and drug discovery efforts.

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