For research use only. Not for therapeutic Use.
BI 653048(CAT: I017391) is a selective, orally active nonsteroidal glucocorticoid (GC) agonist with an IC50 of 55 nM. Extracted from patent WO2005028501A1 (Compound 103), it also functions as an HCV NS3 protease inhibitor, capable of reducing viral loads. BI 653048 inhibits multiple cytochrome P450 isoforms, including CYP1A2, CYP2D6, CYP2C9, CYP2C19, and CYP3A4, with IC50 values ranging from 8–50 µM, while showing reduced affinity for the hERG potassium channel (IC50 >30 μM). It suppresses TNF-stimulated IL-6 production (IC50 = 100 nM) and demonstrates dose-dependent anti-inflammatory efficacy in vivo, significantly decreasing pannus formation, cartilage damage, and bone resorption in animal models.
| CAS Number | 1198784-72-3 |
| Synonyms | 2-[(4R)-4-[(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-5-fluorobenzamide |
| Molecular Formula | C23H25F4N3O4S |
| Purity | ≥95% |
| IUPAC Name | 2-[(4R)-4-[(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-5-fluorobenzamide |
| InChI | InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1 |
| InChIKey | AUIFRJWXYUNPPV-QFIPXVFZSA-N |
| SMILES | CCS(=O)(=O)C1=NC=C2C(=C1)C=C(N2)CC(CC(C)(C)C3=C(C=C(C=C3)F)C(=O)N)(C(F)(F)F)O |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
