Acetylbinankadsurin ACAS# 77174-33-5 |
2D Structure
Quality Control & MSDS
Package In Stock
Number of papers citing our products
Cas No. | 77174-33-5 | SDF | Download SDF |
PubChem ID | N/A | Appearance | Powder |
Formula | C24H28O8 | M.Wt | 444.47 |
Type of Compound | Lignanoids | Storage | Desiccate at -20°C |
Synonyms | Acetylbinankadsurin | ||
Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. |
Acetylbinankadsurin A Dilution Calculator
Acetylbinankadsurin A Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 2.2499 mL | 11.2494 mL | 22.4987 mL | 44.9974 mL | 56.2468 mL |
5 mM | 0.45 mL | 2.2499 mL | 4.4997 mL | 8.9995 mL | 11.2494 mL |
10 mM | 0.225 mL | 1.1249 mL | 2.2499 mL | 4.4997 mL | 5.6247 mL |
50 mM | 0.045 mL | 0.225 mL | 0.45 mL | 0.8999 mL | 1.1249 mL |
100 mM | 0.0225 mL | 0.1125 mL | 0.225 mL | 0.45 mL | 0.5625 mL |
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. |
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Network pharmacology combines machine learning, molecular simulation dynamics and experimental validation to explore the mechanism of acetylbinankadsurin A in the treatment of liver fibrosis.[Pubmed:38169205]
J Ethnopharmacol. 2024 Apr 6;323:117682.
ETHNOPHARMACOLOGICAL RELEVANCE: The Kadsura coccinea (Lem.) A. C. Smith is known as "Heilaohu" of the Tujia ethnomedicine in China. It has anti-tumor, anti-oxidation, anti-HIV, anti-inflammatory and liver protective effects, used to treat diseases such as rheumatoid arthritis, cancer, gastritis and hepatitis. In this research, we investigated the anti-fibrotic effect and possible mechanisms of Acetylbinankadsurin A (ACBA) in vitro and in vivo, which is a natural compound derived from roots of K. coccinea. AIM OF THE STUDY: We try to evaluate the efficacy of ACBA in the treatment of liver fibrosis and to explore the underlying mechanisms of ACBA by network pharmacology, machine learning, molecular docking, molecular dynamics simulations, and experimental assessment. MATERIALS AND METHODS: ACBA was isolated from the CH(2)Cl(2) layer of the roots of K. coccinea through column chromatographic techniques. The structure of ACBA was determined by using 1D and 2D NMR. CCl(4)-induced C57BL/6 mouse liver fibrosis models were established to evaluate the anti-fibrosis effects of ACBA in vivo. The molecular targets of ACBA and liver fibrosis were obtained from various databases, then constructed a protein-protein interaction (PPI) networks through the STRING database. Gene ontology (GO) enrichment and kyoto encyclopedia of genes and genomes (KEGG) analysis were applied using the "clusterProfiler" R package. Furthermore, the key genes for ACBA treatment of liver fibrosis were identified by the least absolute shrinkage and selection operator (LASSO). Molecular docking and molecular dynamics simulations were also carried out. Finally, the target and pathway of ACBA were verified by immunofluorescence staining, RT-PCR and Western blot. RESULT: First, ACBA attenuated CCl(4)-induced liver injury and fibrosis in vivo. These findings were accompanied by decreased expression of alpha-SMA and collagen I. Second, ACBA significantly decreased serum levels of ALT, AST, TNF-alpha and IL-6. Then, we identified 133 potential targets of ACBA and 7987 targets of liver fibrosis. KEGG analysis showed that ACBA could regulate the drug metabolism - cytochrome P450, fructose and mannose metabolism, IL-17 and NF-kappaB signaling pathways. Next, six core targets was screened by LASSO analysis including AKR1B1, PFKFB3, EPHA3, CDK1, CCR1 and CYP3A4. Molecular docking showed that ACBA has a good binding affinity for CCR1. Furthermore, compared with CCR1 inhibitor BX-471, The results of molecular simulation dynamics showed that ACBA was stable in binding with CCR1. Consistently, ACBA remarkably downregulated the expression of CCR1, p-NF-kappaBp65, p-IkappaBalpha, p-STAT1 and TNF-alpha proteins, which were upregulated in CCl(4)-induced hepatic fibrosis and LPS-THP-1 cells. CONCLUSION: Our results suggest that ACBA significantly attenuated CCl(4)-induced liver fibrosis in histopathological and in serum level. This effect may be mediated by CCR1, NF-kappaB and STAT1 signalling.