Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H13ClF3N3O2 |
| Molecular Weight | 395.763 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)C1=C(C)NC(=N[C@H]1C2=CC=C(F)C=C2Cl)C3=NC=C(F)C=C3F
InChI
InChIKey=FVNJBPMQWSIGJK-HNNXBMFYSA-N
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
| Molecular Formula | C18H13ClF3N3O2 |
| Molecular Weight | 395.763 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
BAY 41-4109 (methyl (R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-6-methyl-1,4-dihydro-pyrimidine-5-carboxylate) is a heteroaryldihydropyrimidine (HAP) antiviral compound. BAY 41-4109 treatment disassembled the core capsids and separated them into monomers or dimers, the form in which they could be further degraded into peptides. The core protein assembled in a misdirected manner cannot function effectively. BAY 41-4109 was effective in animal models of HBV, however, its development was discontinued.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Allosteric conformational changes of human HBV core protein transform its assembly. | 2017-05-03 |
|
| Development of chitosan nanoparticles as drug delivery system for a prototype capsid inhibitor. | 2015-11-30 |
|
| Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. | 2008-08 |
|
| NMR-spectroscopy-based metabonomic approach to the analysis of Bay41-4109, a novel anti-HBV compound, induced hepatotoxicity in rats. | 2007-09-28 |
|
| BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. | 2006-09-29 |
|
| Inhibition of human hepatitis B virus (HBV) by a novel non-nucleosidic compound in a transgenic mouse model. | 2002-05 |
Patents
Sample Use Guides
BAY 41-4109 was investigated in HBV-transgenic mice (Tg [HBV1.3 fsX(-)3'5']). Bay 41-4109 was administered per os using different schedules (b.i.d. or t.i.d. for up to 28 days) and dosages ranging from 3 to 30 mg/kg. The compound reduced viral DNA in the liver and in the plasma dose-dependently.
Route of Administration:
Oral
| Substance Class |
Chemical
Created
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admin
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Edited
Mon Mar 31 22:36:48 GMT 2025
by
admin
on
Mon Mar 31 22:36:48 GMT 2025
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| Record UNII |
M862I4T61O
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| Record Status |
Validated (UNII)
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298708-81-3
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| Related Record | Type | Details | ||
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TARGET ORGANISM->INHIBITOR |
Inhibits capsid assembly
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TARGET->INHIBITOR OF AGGREGATION |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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