Bay 41-4109 (less active enantiomer)
Bay 41-4109 less active enantiomer shows less activity than Bay 41-4109. BAY 41-4109 is a potent inhibitor of human hepatitis B virus (HBV) with an IC50 of 53 nM.
For research use only. We do not sell to patients.
- CAS No.: 476617-51-3
- Formula: C18H13ClF3N3O2
- Molecular Weight:395.76
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocol
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
IC50: 53 nM (HBV, Bay 41-4109)[1]
BAY 41-4109 is able to both accelerate and misdirect capsid assembly in vitro. Preformed capsids are stabilized by BAY 41-4109, up to a ratio of one inhibitor molecule per two dimers[2]. BAY 41-4109 is equally effective at inhibiting HBV DNA release and the cytoplasmic HBcAg level, with IC50s of 32.6 and 132 nM in HepG2.2.15 cells, respectively. HBV DNA and HBcAg are inhibited in a dose-dependent manner, indicating that the anti-HBV mechanisms are associated with and dependent on the rate of HBcAg inhibition[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 476617-51-3
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Appearance Solid
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Molecular Weight 395.76
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Formula C18H13ClF3N3O2
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Color Light yellow to yellow
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SMILES
O=C(C1=C(C)N=C(C2=NC=C(F)C=C2F)N[C@@H]1C3=CC=C(F)C=C3Cl)OC
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : ≥ 37 mg/mL (93.49 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Protocol
Cellular metabolism is evaluated by MTT colorimetry. HepG2.2.15 cells are plated at a density of 2×103 cells per well in 96-well plates. After 8 d of treatment with different concentrations of each antiviral compound, 20 μL of MTT solution (5 g/L) are added to each well and incubated at 37°C for 4 h. Next, 150 μL of DMSO is added and stirred for 10 min to dissolve the crystals. Absorbance values are recorded at 490 nm by using an ELISA reader. The MTT values are calculated using the curve regression equation[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Mice: The HBV-transgenic mice are used in the study. Compounds (BAY 41-4109) are formulated as a suspension in 0.5% Tylose and administered per os to mice two times/day for a 28 day period. The 0.5% Tylose serves as a placebo. Six hours after the last treatment, the animals are sacrificed and livers are removed and immediately frozen for subsequent analysis. Blood is obtained by cardiac puncture of the anesthesized animals[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Purity & Documentation
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Data Sheet (277 KB)
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SDS (102 KB)
- English - EN (102 KB)
- Français - FR (102 KB)
- Deutsch - DE (102 KB)
- Norwegian - NO (102 KB)
- Español - ES (102 KB)
- Swedish - SV (102 KB)
- Italian - IT (102 KB)
- Korean - KR (102 KB)
- Portuguese - PT (102 KB)
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Handling Instructions (2659 KB)
References
[1]. Weber O, et al. Inhibition of human hepatitis B virus (HBV) by a novel non-nucleosidic compound in a transgenic mouse model. Antiviral Res. 2002 May;54(2):69-78. [Content Brief]
[2]. Stray SJ, et al. BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. J Mol Recognit. 2006 Nov-Dec;19(6):542-8. [Content Brief]
[3]. Wu GY, et al. Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. J Chemother. 2008 Aug;20(4):458-67. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO | 1 mM | 2.5268 mL | 12.6339 mL | 25.2678 mL | 63.1696 mL |
| 5 mM | 0.5054 mL | 2.5268 mL | 5.0536 mL | 12.6339 mL | |
| 10 mM | 0.2527 mL | 1.2634 mL | 2.5268 mL | 6.3170 mL | |
| 15 mM | 0.1685 mL | 0.8423 mL | 1.6845 mL | 4.2113 mL | |
| 20 mM | 0.1263 mL | 0.6317 mL | 1.2634 mL | 3.1585 mL | |
| 25 mM | 0.1011 mL | 0.5054 mL | 1.0107 mL | 2.5268 mL | |
| 30 mM | 0.0842 mL | 0.4211 mL | 0.8423 mL | 2.1057 mL | |
| 40 mM | 0.0632 mL | 0.3158 mL | 0.6317 mL | 1.5792 mL | |
| 50 mM | 0.0505 mL | 0.2527 mL | 0.5054 mL | 1.2634 mL | |
| 60 mM | 0.0421 mL | 0.2106 mL | 0.4211 mL | 1.0528 mL | |
| 80 mM | 0.0316 mL | 0.1579 mL | 0.3158 mL | 0.7896 mL |
Bay 41-4109 (less active enantiomer) Related Classifications
HY-100029B Related Classifications
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