CYP1B1-IN-4

• CAT Number: I042285
• CAS Number: 2685779-55-7
• Molecular Formula: C18H14N2O2S
• Molecular Weight: 322.38
• Purity: ≥95%
• Synonyms: 4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile
• InChI: InChI=1S/C18H14N2O2S/c1-21-14-7-8-15(17(9-14)22-2)18-20-16(11-23-18)13-5-3-12(10-19)4-6-13/h3-9,11H,1-2H3
• InChIKey: SCCIDJLIDOUTOW-UHFFFAOYSA-N
• SMILES: COC1=CC(=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)C#N)OC

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].
CYP1B1-IN-4 (compound 15) (100 μM; 37 ℃; 0-60 min) has in vitro stability in both human and rat liver microsomes, while it has low stability in mouse liver microsomes[1].
CYP1B1-IN-4 (1 nM-10 μM) also inhibits CYP1A1 with an IC50 value of 3.82 μM[1].
CYP1B1-IN-4 (200 μM; 72 h) parental HEK T-REx cell line , and (100 μ M; 72 h) has little cytotoxicity in HEK293 cells[1].

Stability Parameters in Human, Rat, or Mouse Liver Microsomes[1]

Parameters
T1/2 (min)
CLint(mic) (μL/min/mg)
CLint(liver) (mL/min/kg)
% remainingT=60 min

Human
28.3
49.0
44.1
19.0

Rat
36.6
37.9
68.2
27.1

Mouse
2.5
545.9
2161.9
0.2

Reference

[1]. Hachey AC, et al. Design of Cytochrome P450 1B1 Inhibitors via a Scaffold-Hopping Approach. J Med Chem. 2022 Dec 15.
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