BI 653048

BI 653048, a chemical probe, is a selective and orally active nonsteroidal glucocorticoid (GC) agonist with an IC50 value of 55 nM[1]. BI 653048 inhibits CP1A2, CYP2D6, CYP2C9, CYP2C19 and CYP3A4 isoforms’ activity and reduces affinity for the hERG ion channel (IC50>30 μM) [2]. BI 653048 (Compound 103) is also a HCV NS3 protease inhibitor that can reduce viral loads infected with the hepatitis C virus[3].

Product Specifications

CAS Number

[1198784-72-3]

UNSPSC

12352005

Target

Cytochrome P450; Glucocorticoid Receptor; HCV Protease

Type

Reference compound

Related Pathways

Anti-infection; Immunology/Inflammation; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor

Applications

COVID-19-anti-virus

Field of Research

Infection; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/bi-653048.html

Purity

99.84

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(N)C1=CC(F)=CC=C1C(C)(C)C[C@@](O)(CC(N2)=CC3=C2C=NC(S(=O)(CC)=O)=C3)C(F)(F)F

Molecular Formula

C23H25F4N3O4S

Molecular Weight

515.52

References & Citations

[1]Reeves JT, et al. Development of a large scale asymmetric synthesis of the glucocorticoid agonist BI 653048 BS H3PO4.J Org Chem. 2013 Apr 19;78 (8) :3616-35.|[2]Montse Llinas-Brunet, et al. Latest bibliographic data on file with the International Bureau|[3]Harcken C, et al. Optimization of drug-like properties of nonsteroidal glucocorticoid mimetics and identification of a clinical candidate.ACS Med Chem Lett. 2014 Nov 20;5 (12) :1318-23.