ChemicalBook--->CAS DataBase List--->176442-56-1

176442-56-1

176442-56-1 Structure

176442-56-1 Structure
IdentificationBack Directory
[Name]

4H-3,1-Benzoxazin-4-one, 2-(4-iodophenyl)-
[CAS]

176442-56-1
[Synonyms]

CYP1B1-IN-5
4H-3,1-Benzoxazin-4-one, 2-(4-iodophenyl)-
[Molecular Formula]

C14H8INO2
[MOL File]

176442-56-1.mol
[Molecular Weight]

349.12
Chemical PropertiesBack Directory
[Boiling point ]

404.7±24.0 °C(Predicted)
[density ]

1.75±0.1 g/cm3(Predicted)
[pka]

1.78±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

CYP1B1-IN-5 (Compound 6q) is a potent and selective cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM[1].
[IC 50]

CYP1B1: 4.7 nM (IC50); CYP1A1: 190.7 nM (IC50); CYP1A2: 585.7 nM (IC50)
[References]

[1] Yi L, et al. A new class of CYP1B1 inhibitors derived from bentranil. Bioorg Med Chem Lett. 2022 Dec 21;80:129112. DOI:10.1016/j.bmcl.2022.129112
Spectrum DetailBack Directory
[Spectrum Detail]

4H-3,1-Benzoxazin-4-one, 2-(4-iodophenyl)-(176442-56-1)1HNMR
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