For research use only. Not for therapeutic Use.
BAY-41-4109（Cat No.:I003993）is a small-molecule antiviral agent targeting hepatitis B virus (HBV) through its role as a core protein allosteric modulator (CpAM). It disrupts HBV nucleocapsid assembly by promoting the formation of nonfunctional capsids, inhibiting viral replication. BAY-41-4109 has demonstrated potent efficacy in preclinical models, effectively reducing HBV DNA levels and cccDNA. Its selective action on HBV replication pathways minimizes host toxicity, making it a promising candidate for treating chronic HBV infections. Ongoing research explores its potential as part of combination therapies for improved antiviral outcomes.
| Catalog Number | I003993 |
| CAS Number | 298708-81-3 |
| Synonyms | BAY-41-4109; BAY41-4109; BAY 41-4109; BAY-414109; BAY414109; BAY 414109.;(R)-methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate |
| Molecular Formula | C18H13ClF3N3O2 |
| Purity | ≥95% |
| Solubility | Soluble in DMSO, not in water |
| Storage | Store at -20°C |
| IUPAC Name | methyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate |
| InChI | 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)/t15-/m0/s1 |
| InChIKey | FVNJBPMQWSIGJK-HNNXBMFYSA-N |
| 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 |
| Reference | </br>1:Antiviral activity of Bay 41-4109 on hepatitis B virus in humanized Alb-uPA/SCID mice. Brezillon N, Brunelle MN, Massinet H, Giang E, Lamant C, DaSilva L, Berissi S, Belghiti J, Hannoun L, Puerstinger G, Wimmer E, Neyts J, Hantz O, Soussan P, Morosan S, Kremsdorf D.PLoS One. 2011;6(12):e25096. doi: 10.1371/journal.pone.0025096. Epub 2011 Dec 5. PMID: 22162746 Free PMC Article</br>2:Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. Wu GY, Zheng XJ, Yin CC, Jiang D, Zhu L, Liu Y, Wei L, Wang Y, Chen HS.J Chemother. 2008 Aug;20(4):458-67. PMID: 18676226 </br>3:BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. Stray SJ, Zlotnick A.J Mol Recognit. 2006 Nov-Dec;19(6):542-8. PMID: 17006877 |
