Brequinar

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.

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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