CYP3A4-IN-3

CYP3A4-IN-3 is a high-affinity specific inhibitor of cytochrome P450 3A4 (CYP3A4) with the IC50 value of 0.075 μM. CYP3A4-IN-3 is a ritonavir analogue, but with a simpler structure and twice the inhibitory effect of ritonavir. CYP3A4-IN-3 is used as an antiviral agent and immunosuppressant[1].

Product Specifications

CAS Number

[2562384-19-2]

UNSPSC

12352005

Target

Cytochrome P450

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

COVID-19-anti-virus

Field of Research

Infection; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/cyp3a4-in-3.html

Solubility

10 mM in DMSO

Smiles

O=C(NCCC1=CN=CC=C1)[C@@H](CC2=CC=CC=C2)SC[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC4=C3C=CC=C4

Molecular Formula

C34H39N3O3S

Molecular Weight

569.76

References & Citations

[1]Eric R Samuels, et al. An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg Med Chem. 2020 Mar 15;28 (6) :115349. doi: 10.1016/j.bmc.2020.115349. Epub 2020 Jan 31.