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Brequinar - >98.0%(HPLC), high purity , Dihydroorotate dehydrogenase inhibitor, CAS No.96187-53-0, Dihydroorotate dehydrogenase inhibitor

Moligand™
≥98%(HPLC)

CAS#: 96187-53-0
Formula: C₂₃H₁₅F₂NO₂
Molecular Weight: 375.37
MDL number: MFCD00866437
PubChem CID: 57030

Item Number

B405327

Grouped product items
SKU	Size	Availability	Price	Qty
B405327-20mg	20mg	In stock	$159.90
B405327-100mg	100mg	In stock	$376.90

View related series

dihydroorotate dehydrogenase (quinone) Inhibitor

Basic Description

Synonyms	Brequinar\|96187-53-0\|6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid\|Brequinar [INN]\|brequinarum\|Biphenquinate\|6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid\|NSC 368390\|6-fluoro-2-[4-(2-fluorophenyl
Specifications & Purity	Moligand™, ≥98%(HPLC)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Dihydroorotate dehydrogenase inhibitor
Product Description	Product Describtion: Brequinar (DUP785, NSC 368390) is an inhibitor of dihydroorotate dehydrogenase (DHODH) with an IC50 of ∼20 nM in vitro.

Associated Targets

DHFR Tclin Dihydrofolate reductase 1 Activities

Discover Target: DHFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DHODH Tclin Dihydroorotate dehydrogenase (quinone), mitochondrial 22 Activities

Discover Target: DHODH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC6 Tclin Histone deacetylase 6 0 Activities

Discover Target: HDAC6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
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)
InChi Key	PHEZJEYUWHETKO-UHFFFAOYSA-N
Canonical SMILES	CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O
Isomeric SMILES	CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O
PubChem CID	57030
Molecular Weight	375.37
Reaxy-Rn	8354757

ChEMBL Ligand

CAS Registry No.

DrugBank Ligand

PubChem CID

RCSB PDB Ligand

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4 results found

Lot Number	Certificate Type	Date	Item
H2408224	Certificate of Analysis	Jul 31, 2024	B405327
H2408272	Certificate of Analysis	Jul 31, 2024	B405327
G2214188	Certificate of Analysis	Jun 13, 2022	B405327
G2214189	Certificate of Analysis	Jun 13, 2022	B405327

Solubility

Insoluble in water and ethanol;37 mg/mL(98.57 mM) in DMSO

Sensitivity

Heat Sensitive

Melt Point(°C)

317 °C

References

1. Peters GJ, Sharma SL, Laurensse E, Pinedo HM. (1987) Inhibition of pyrimidine de novo synthesis by DUP-785 (NSC 368390).. Invest New Drugs, 5 (3): (235-44). [PMID:2822596]
2. Arteaga CL, Brown TD, Kuhn JG, Shen HS, O'Rourke TJ, Beougher K, Brentzel HJ, Von Hoff DD, Weiss GR. (1989) Phase I clinical and pharmacokinetic trial of Brequinar sodium (DuP 785; NSC 368390).. Cancer Res, 49 (16): (4648-53). [PMID:2743343]
3. Chen SF, Ruben RL, Dexter DL. (1986) Mechanism of action of the novel anticancer agent 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinolinecarbo xylic acid sodium salt (NSC 368390): inhibition of de novo pyrimidine nucleotide biosynthesis.. Cancer Res, 46 (10): (5014-9). [PMID:3019518]

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Brequinar - >98.0%(HPLC), high purity , Dihydroorotate dehydrogenase inhibitor, CAS No.96187-53-0, Dihydroorotate dehydrogenase inhibitor

Basic Description

Product Properties

Associated Targets

DHFR Tclin Dihydrofolate reductase 1 Activities

DHODH Tclin Dihydroorotate dehydrogenase (quinone), mitochondrial 22 Activities

HDAC6 Tclin Histone deacetylase 6 0 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

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References

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