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5mg |
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10mg |
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25mg |
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50mg |
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100mg |
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Purity: ≥98%
BAY 41-4109 is a novel and potent inhibitor of human hepatitis B virus (HBV) with an IC50 of 53 nM. BAY-41-4109 is a heteroaryldihydropyrimidine (HAP) antiviral compound effective on Hepatitis B virus (HBV) capsid assembly and on preformed HBV capsids.
Targets |
HBV(IC50= 53 nM )
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ln Vitro |
In vitro, BAY 41-4109 has the capacity to misdirect and speed up capsid assembly. BAY 41-4109 stabilizes formed capsids up to a ratio of one inhibitor molecule for every two dimers [2]. In HepG2.2.15 cells, BAY 41-4109 exhibits an equivalent level of efficacy in suppressing HBV DNA release and cytoplasmic HBcAg levels, with IC50 values of 32.6 and 132 nM, respectively. The dose-dependent inhibition of HBV DNA and HBcAg suggests that the anti-HBV mechanisms are linked to and reliant on the rate of HBcAg inhibition[3].
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ln Vivo |
With an efficacy similar to 3TC, BAY 41-4109 decreases viral DNA in the liver and plasma in a dose-dependent manner. Hepatitis B virus core antigen (HBcAg) in the livers of HBV-transgenic mice is decreased by BAY 41 -4109. Research on pharmacokinetics in mice has demonstrated quick absorption, a 30% bioavailability, and dose-proportional plasma concentrations in rats and dogs of roughly 60%[1]. By targeting the viral capsid, BAY41-4109 inhibits the production of viruses in vivo[2].
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Cell Assay |
MTT colorimetry is used to measure cellular metabolism. In 96-well plates, HepG2.2.15 cells are plated at a density of 2 × 103 cells per well. 20 μL of MTT solution (5 g/L) is added to each well after 8 days of treatment with varying concentrations of each antiviral compound, and the wells are then incubated for 4 hours at 37°C. To dissolve the crystals, 150 μL of DMSO is then added and stirred for 10 minutes. An ELISA reader is used to record absorbance values at 490 nm. The curve regression equation is used to compute the MTT values[3].
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Animal Protocol |
Mice: For this study, HBV-transgenic mice are employed. The compounds (BAY 41-4109) are given to mice twice a day for 28 days in a suspension solution formulated with 0.5% tylose. The placebo is the 0.5% tylose. The animals are killed six hours after the last treatment, and the livers are taken out and frozen right away for further examination. The anesthetized animals' hearts are punctured to obtain blood[1].
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References |
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Molecular Formula |
C18H13CLF3N3O2
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Molecular Weight |
395.762933492661
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CAS # |
298708-81-3
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Related CAS # |
Bay 41-4109 racemate;298708-79-9;Bay 41-4109 (less active enantiomer);476617-51-3
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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SMILES |
CC1=C([C@@H](N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)OC
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InChi Key |
FVNJBPMQWSIGJK-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)
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Chemical Name |
Methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
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Synonyms |
BAY-414109; BAY414109; BAY 414109; BAY-41-4109; BAY41-4109; BAY 41-4109
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO : 79~100 mg/mL ( 199.61~252.68 mM )
Ethanol : ~11 mg/mL Water : ˂1 mg/mL |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.32 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.5 mg/mL (6.32 mM)  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.5268 mL | 12.6339 mL | 25.2678 mL | |
5 mM | 0.5054 mL | 2.5268 mL | 5.0536 mL | |
10 mM | 0.2527 mL | 1.2634 mL | 2.5268 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.