ChemicalBook--->CAS DataBase List--->531-46-4

531-46-4

531-46-4 Structure

531-46-4 Structure
IdentificationBack Directory
[Name]

5,12-dihydroquinoxalino[2,3-b]quinoxaline
[CAS]

531-46-4
[Synonyms]

ML-090
Fluoflavine
5,12-dihydroquinoxalino[2,3-b]quinoxaline
6,11-dihydroquinoxalino[2,3-b]quinoxaline
Quinoxalino[2,3-b]quinoxaline, 5,11-dihydro-
5,12-Dihydroquinoxalino[2,3-b]quinoxaline (~90%)
NOX4,ML090,NADPH Oxidase,Inhibitor,NOX,HEK293 cell,NOX3,ML 090,NOX2,inhibit,ML-090,NOX1
[Molecular Formula]

C14H10N4
[MDL Number]

MFCD00160739
[MOL File]

531-46-4.mol
[Molecular Weight]

234.26
Chemical PropertiesBack Directory
[Melting point ]

>262°C (dec.)
[Boiling point ]

450.2±28.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

3.94±0.20(Predicted)
[color ]

Off-White to Dark Yellow
[InChI]

InChI=1S/C14H10N4/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,15,17)(H,16,18)
[InChIKey]

WGKYYZDYHYOKQV-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)N=C2NC3=C(N=C12)C=CC=C3
Hazard InformationBack Directory
[Description]

NADPH oxidase 1 (NOX1) generates reactive oxygen species (ROS) in colon epithelial cells that interacts with both pathogenic and normal bacteria. Excess ROS production, however, is associated with damage to the intestinal mucosa, inflammatory bowel disease, and prostate cancer. ML-090 is the first identified NOX1-specific inhibitor (IC50 = 360 nM in HEK293 cells) based on a quinoxaline scaffold that demonstrates potent selectivity over NOX2, NOX3, and NOX4 (IC50s ≥ 10 μM) and xanthine oxidase (IC50 = 3.5 μM).
[Uses]

5,12-Dihydroquinoxalino[2,3-b]quinoxaline is an inhibitor of?NADPH oxidase 1 (NOX1).
[Definition]

ChEBI: 6,11-dihydroquinoxalino[2,3-b]quinoxaline is a quinoxaline derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

5,12-dihydroquinoxalino[2,3-b]quinoxaline(531-46-4)1HNMR
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