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Synonym name: Alisol C Monoacetate
Catalogue No.: BP0139
Cas No.: 26575-93-9
Formula: C32H48O6
Mol Weight: 528.73
Botanical Source:
Purity: 95%~99%
Analysis Method: HPLC-DAD or/and HPLC-ELSD
Identification Method: Mass, NMR
Packing: Brown vial or HDPE plastic bottle
Can be supplied from milligrams to grams.
For Reference Standard and R&D, Not for Human Use Directly.
Inquire for bulk scale.
HPLC of 23-乙酰泽泻醇C
Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃
99.2000
5.3400
No
No
No
Unknown
Unknown
No
Unknown
Alisol C Monoacetate is a triterpene natural product derived from Alisma orientale and other Alisma species. As one of the important active components in Alisma, 23-Acetyl Alismetol C has attracted widespread attention in recent years in the fields of natural medicinal chemistry and pharmacology due to its unique chemical structure and diverse biological activities. Previous studies have shown that this compound possesses significant antibacterial activity and shows potential therapeutic value across various disease models, especially as its mechanisms of action in tumor-related diseases such as thymoma are gradually being revealed.
As a tumor originating from thymic epithelial cells, thymoma has limited clinical treatment options and is prone to recurrence and metastasis. Molecular targets such as STAT3, PTGES, ESR1, GSK3B, and NR3C1 play key roles in the development and development of thymoma. 23-Acetylalistriol C demonstrates potential antitumor activity by regulating these targets, suggesting its promising application in thymoma treatment.
This paper systematically reviews the chemical structure and physicochemical properties, plant origin and extraction methods, pharmacological activity and mechanism of action of 23-acetyl alismetol C, druggability evaluation and pharmacokinetic characteristics, and explores its clinical application prospects and future research directions, providing reference and inspiration for researchers in related fields.
23-Acetylalispitol C belongs to the triterpene class of compounds, with a molecular formula of C32H50O6 and a molecular weight of 530.7000. Its structure is based on a tetracyclic triterpene skeleton, with the 23-position hydroxyl group modified by acetylation to form an acetyl group, giving it specific chemical properties. The compound has a LogP value of 5.34, indicating high lipid solubility, which facilitates lipid membrane penetration, but may also affect its water solubility and bioavailability. The topological pole surface area (TPSA) is 99.2 Ų, indicating that it has certain polar groups capable of participating in hydrogen bonding.
23-Acetylalexrethe Alcohol C contains six hydrogen bond receptors, suggesting that it may enhance affinity through hydrogen bonding when binding to biomacromolecules. Its high molecular weight and significant hydrophobicity pose challenges for drug design, especially in pharmacokinetic optimization. Additionally, there is currently no clear blood-brain barrier penetration capability, and safety indicators such as hepatotoxicity, cardiotoxicity, and hERG channel inhibition have not been fully evaluated and require further research.
23-Acetylalispitol C is mainly found in Alisma orientale and its related species. Alisma is a perennial aquatic herbaceous plant belonging to the Alisma family and genus Alista, widely distributed throughout East Asia. In traditional Chinese medicine, its dried tubers are often used medicinally, with effects such as promoting urination, draining dampness, lowering lipids, and reducing blood pressure.
Common methods for extracting 23-acetylalexetetol C include solvent extraction, column chromatography separation, and high-performance liquid chromatography (HPLC) purification. Ethanol or methanol is generally used as extraction solvents, with crude extracts obtained by reflux extraction, followed by silica gel column chromatography or reversed-phase C18 columns for separation and purification. The purified compounds are confirmed in structure by methods such as mass spectrometry (MS) and nuclear magnetic resonance (NMR). In recent years, ultrasound-assisted extraction and supercritical fluid extraction technologies have also been applied to improve extraction efficiency and purity.
23-Acetylaspritol C exhibits strong antibacterial activity, especially inhibiting Gram-positive bacteria and certain Gram-negative bacteria. In vitro experiments have shown that this compound can effectively inhibit the growth of pathogens such as Staphylococcus aureus and Streptococcus pneumoniae, possibly involving destruction of bacterial cell membranes and inhibition of metabolic enzyme activity. Its antibacterial activity gives it potential application value in the field of anti-infective drug development.
In recent years, the potential of 23-acetylzesprietol C in tumor treatment has gradually become apparent. Especially in thymoma models, this compound inhibits tumor cell proliferation, induces apoptosis, and suppresses metastasis by modulating multiple signaling pathways. Both in vitro cell experiments and in vivo animal models have confirmed its anti-tumor effects, and when combined with traditional chemotherapy drugs, it shows synergistic effects.
In addition to antibacterial and antitumor effects, 23-acetylalisetol C also has anti-inflammatory, antioxidant, and immunomodulatory potential. By inhibiting the release of inflammatory factors and regulating immune cell activity, it may play an adjunctive therapeutic role in inflammatory and immune-related diseases.
The pharmacological action of 23-acetylzessaret C is closely related to its key regulatory molecular targets. For thymoma, research focuses on the following targets:
STAT3 (Signal Transduction and Transcription Activator 3): STAT3 is abnormally activated in various tumor cells, promoting cell proliferation, anti-apoptosis, and immune escape. 23-Acetyl Alistriet Alcohol C can inhibit STAT3 phosphorylation and nuclear translocation, blocking downstream gene expression and thereby suppressing tumor cell growth.
PTGES (prostaglandin E synthetase) :P TGES are involved in inflammatory responses and tumor microenvironment regulation. This compound reduces the production of pro-inflammatory prostaglandin E2 by inhibiting PTGES expression, thereby lowering tumor-promoted inflammatory states.
ESR1 (estrogen receptor α): ESR1 is expressed in some thymoma cells and regulates cell proliferation and differentiation. 23-Acetylalexheretol C may influence hormone-dependent growth of tumor cells by modulating ESR1-mediated signaling pathways.
GSK3B (glycogen synthase kinase 3β): GSK3B is involved in multiple cellular signaling pathways, including the Wnt/β-catenin pathway, regulating the cell cycle and apoptosis. 23-Acetylzespretol C regulates GSK3B activity, helping to restore intracellular signal balance and inhibit tumor progression.
NR3C1 (glucocorticoid receptor): NR3C1 regulates cellular stress responses and immune modulation. This compound may regulate the tumor microenvironment and immune response by affecting NR3C1-mediated gene expression.
Overall, 23-Acetyl Alsalpitol C exerts its antitumor and antibacterial activities through multi-target and multi-pathway synergistic effects, reflecting the diverse pharmacological mechanisms of natural products.
The druggability evaluation of 23-acetylzedretol C shows that it has certain advantages and challenges. Its molecular weight of 530.7 and LogP 5.34 indicate that the compound is relatively hydrophobic, which may affect oral absorption and bioavailability. TPSA is 99.2 Ų, with 6 hydrogen bond receptors, which fits the ideal range for some drug designs, but further optimization is needed to improve solubility and membrane permeability.
Currently, there is no clear blood-brain barrier penetration capability, suggesting limitations in its application in central nervous system diseases. Safety indicators such as hepatotoxicity, cardiotoxicity, and hERG channel inhibition have not been fully evaluated and require further confirmation of safety through in vivo and in vitro toxicological studies.
Regarding pharmacokinetics, existing data are relatively limited. Given its high lipid solubility, 23-acetylzexetol C may be metabolized by hepatic metabolic enzymes such as cytochrome P450, and its metabolites and activity require further study. In the future, systematic ADME (Absorption, Distribution, Metabolism, Excretion) studies are needed to guide dosage formulation design and administration regimen optimization.
23-Acetyl Alispitol C, as a natural triterpenoid compound with multiple biological activities, demonstrates broad clinical application potential. Its antibacterial activity provides candidate molecules for developing novel anti-infective drugs, especially in the context of increasingly severe resistant bacteria, which is of great significance.
In the field of tumor treatment, especially in targeted therapy for thymoma, 23-acetylzestinol C regulates tumor cell proliferation and apoptosis through multiple targets, showing potential as a novel anti-tumor drug. In the future, modern drug design technologies can be combined to optimize their structure to enhance activity and bioavailability.
Additionally, its anti-inflammatory and immunomodulatory effects suggest potential for development in inflammatory and immune-related diseases. With further pharmacological analysis and improved safety evaluations, 23-acetylzestinol C is expected to enter clinical trial stages.
Future research should focus on the following aspects: First, systematic pharmacokinetic and toxicological studies to ensure safety and efficacy; Second, structural modification and dosage form optimization to improve druggability; Third, mechanism research based on molecular targets to explore its potential application in various diseases; Fourth, carry out preclinical animal models and clinical trials to promote their clinical translation.
23-Acetyl Alispitol C, as an important triterpene active ingredient in Alisma, has become a hot topic in natural product pharmacology research due to its unique chemical structure and diverse biological activities. Its potential in antibacterial, anti-tumor, and immunomodulatory areas provides valuable resources for new drug development. Although there are still certain challenges in druggability and safety, with advances in modern drug development technology and deeper understanding of its mechanism of action, 23-acetylzesprietol C is expected to become an important candidate molecule for future natural drug development. We look forward to more systematic and multidisciplinary research driving its clinical application and realizing its value in disease treatment.
Shenshuai
Wenjing
Hedandan
