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Chemical structure of Brequinar

GC19082

Brequinar

Also known as 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid

Brequinar is a specific inhibitor of dihydroorotate dehydrogenase DHODH, with an IC50 value of approximately 20nM in vitro

ChemicalCAS96187-53-0MW375.37FormulaC23H15F2NO2
CAS number
96187-53-0
Molecular weight
375.37
Formula
C23H15F2NO2
Solubility
DMSO ： 35·71 mg/mL (95·13 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
PHEZJEYUWHETKO-UHFFFAOYSA-N
Catalogue number
GC19082
Brand
GLPBIO
Computed properties PubChem CID 57030 · XLogP 5.6 · TPSA 50.2 Ų · H-bond donors 1
XLogP
5.6
TPSA
50.2 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28

SMILES CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O

Computed descriptors from PubChem (CID 57030), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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