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2685779-55-7

2685779-55-7 Structure

2685779-55-7 Structure
IdentificationBack Directory
[Name]

Benzonitrile, 4-[2-(2,4-dimethoxyphenyl)-4-thiazolyl]-
[CAS]

2685779-55-7
[Synonyms]

CYP1B1-IN-4
Benzonitrile, 4-[2-(2,4-dimethoxyphenyl)-4-thiazolyl]-
[Molecular Formula]

C18H14N2O2S
[MOL File]

2685779-55-7.mol
[Molecular Weight]

322.38
Chemical PropertiesBack Directory
[Boiling point ]

544.5±60.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

0.87±0.50(Predicted)
[color ]

Yellow to orange
Hazard InformationBack Directory
[Uses]

CYP1B1-IN-4 is a 2,4-diarylthiazole compound with selectively CYP1B1 inhibition (IC50=0.2 nM). CYP1B1-IN-4 has little cytotoxicity and high stability in both human and rat liver microsomes[1].
[IC 50]

CYP1B1: 0.2 nM (IC50); CYP1A1: 3.98 μM (IC50)
[References]

[1] Hachey AC, et al. Design of Cytochrome P450 1B1 Inhibitors via a Scaffold-Hopping Approach. J Med Chem. 2022 Dec 15. DOI:10.1021/acs.jmedchem.2c01368
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