SML0113

Brequinar sodium salt hydrate

≥97% (HPLC)

• Synonyme(s) : 6-Fluoro-2-(2′-fluoro[1,1′-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid sodium hydrate, Biphenquinate sodium hydrate, DuP 785 hydrate, NSC 368390 hydrate
• Formule empirique (notation de Hill): C₂₃H₁₄F₂NO₂·Na · xH₂O
• Numéro CAS: 96187-53-0
• Poids moléculaire : 397.35 (anhydrous basis)
• Numéro MDL: MFCD21363375
• Code UNSPSC : 12352200
• ID de substance PubChem : 329825165
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Pureté: ≥97% (HPLC)
• Forme: powder
• Couleur: off-white to brown
• Solubilité: DMSO: ≥5 mg/mL
• Température de stockage: 2-8°C
• Chaîne SMILES: O.[Na+].Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c3ccc(cc3)-c4ccccc4F
• InChI: 1S/C23H15F2NO2.Na.H2O/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);;1H2/q;+1;/p-1
• Clé InChI: IZXTTXFXRQGHKO-UHFFFAOYSA-M

Description

Application

Brequinar sodium salt hydrate has been used as a dihydroorotate dehydrogenase (DHODH) inhibitor:

• in drug response assays
• to induce depletion of cellular pyrimidine pools
• in cell proliferation assays

Brequinar sodium salt hydrate may be used in cell signaling studies.

Actions biochimiques/physiologiques

Brequinar exhibits anti-neoplastic activity against refractory solid tumors in human and mouse models. Continuous treatment is required for depletion of pyrimidine pools in the cancer cells and tumor inhibition.

Brequinar inhibits dihydroorotate dehydrogenase (DHODH), the fourth enzyme in the de novo pyrimidine biosynthesis pathway, preventing the synthesis of DNA and RNA. Brequinar has recently been found to have antiviral activity against a broad spectrum of viruses including flaviviruses (dengue virus, West Nile virus, yellow fever virus, and Powassan virus) and also a plus-strand RNA alphavirus (Western equine encephalitis virus) and a negative-strand RNA rhabdovirus (vesicular stomatitis virus).

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable