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Antiviral API
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Brequinar
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| Category | SARS-CoV |
| CAS | 96187-53-0 |
| Description | Brequinar is a synthetic quinolinecarboxylic acid analogue with antineoplastic properties. Brequinar inhibits the enzyme dihydroorotate dehydrogenase, thereby blocking de novo pyrimidine biosynthesis. This agent may also enhance the in vivo antitumor effect of antineoplastic agents such as 5-FU. Check for active clinical trials or closed clinical trials using this agent. |
Product Information
| Synonyms | DUP785; NSC 368390; 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid; 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-; Biphenquinate |
| IUPAC Name | 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid |
| Molecular Weight | 375.37 |
| Molecular Formula | C23H15F2NO2 |
| Canonical SMILES | CC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C4=CC=CC=C4F |
| InChI | InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) |
| InChIKey | PHEZJEYUWHETKO-UHFFFAOYSA-N |
| Boiling Point | 550.9±50.0°C at 760 mmHg |
| Melting Point | 355-357°C |
| Flash Point | 287.0±30.1 °C |
| Purity | ≥98% |
| Density | 1.3±0.1 g/cm3 |
| Solubility | Soluble in DMF, DMSO, Ethanol |
| Appearance | Crystalline Solid |
| Storage | Store at -20°C |
| Complexity | 551 |
| Exact Mass | 375.10708505 |
| Index Of Refraction | 1.645 |
| In Vitro | Brequinar reduces virus progeny production by >90%, with EC50 of 17 nM. Brequinar (5 μM) also inhibits other orthopoxviruses, and blocks virus DNA replication. Brequinar does not affect virus early gene expression, but has a severe effect on the late stage of the virus cycle. Brequinar reduces the level of envelope protein production and the viral titer in a dose-dependent manner, with EC50 of 78 nM in the CFI assay. Brequinar (5 μM) inhibits viral RNA synthesis. Brequinar has antiviral effect, but the effect is reversed by pyrimidine. Brequinar (5 μM) suppresses the luciferase activities from both the WT and NS5 mutant replicons. |
| In Vivo | Brequinar sodium-treated (10-20 mg/kg/day) mice has a 31% reduction in percentage of packed cell volume compared with untreated BALB/c mice. Brequinar sodium reduces UTP and CTP levels in bone marrow cells by 30 and 25%, respectively. |
| PSA | 50.19000 |
| Target | Dihydroorotate Dehydrogenase; SARS-CoV; Virus Protease; DNA/RNA Synthesis |
| Vapor Pressure | 0.0±1.6 mmHg at 25°C |
| XLogP3-AA | 5.6 |
