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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- West Nile virus
- Antiviral intermediates
BI-653048
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| Category | HCV Protease |
| CAS | 1198784-72-3 |
| Description | BI 653048 is a selective and orally active nonsteroidal glucocorticoid (GC) agonist with an IC50 value of 55 nM. BI 653048 inhibits CP1A2, CYP2D6, CYP2C9, CYP2C19 and CYP3A4 isoforms' activity and reduces affinity for the hERG ion channel (IC50 >30 μM). BI 653048 is extracted from patent WO2005028501A1 (Compound 103), is also a HCV NS3 protease inhibitor that can reduce viral loads infected with the hepatitis C virus. |
Product Information
| Synonyms | UNII-KQ33EVH4KU|1198784-72-3|BI 653048|KQ33EVH4KU|CHEMBL3358954|(R)-2-(4-((5-(Ethylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluorobenzamide|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|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|BI-653048 free base|GTPL9715|SCHEMBL1493900|BDBM50041896|BI 653048 BS H3PO4|BI653048|HY-12946|BI-653048|CS-0012809|(R)-39|2-((3R)-3-((5-(Ethylsulfonyl)-1H-pyrrolo(2,3-C)pyridin-2-yl)methyl)-4,4,4-trifluoro-3-hydroxy-1,1-dimethylbutyl)-5-fluorobenzamide|Benzamide, 2-((3R)-3-((5-(ethylsulfonyl)-1H-pyrrolo(2,3-C)pyridin-2-yl)methyl)-4,4,4-trifluoro-3-hydroxy-1,1-dimethylbutyl)-5-fluoro- |
| Molecular Weight | 515.52 |
| Molecular Formula | C23H25F4N3O4S |
| Canonical 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 |
| Purity | >98.00% |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 879 |
| Exact Mass | 515.15019011 |
| In Vitro | BI 653048 exhibits an improved drug-like properties, inhibits CP1A2 ,CYP2D6 ,CYP2C9, CYP2C19 and CYP3A4 with IC50 values of 50 µM, 41 µM, 12 µM, 9 µM,and 8 µM, respectively. BI 653048 reduces affinity for the hERG ion channel with an IC50>30 μM in recombinant HEK293 cells expressing the human ERG potassium channel. BI 653048 inhibits TNF-stimulated IL-6 production in mouse RAW cells with an IC50 value of 100 nM. |
| In Vivo | BI 653048 at 3 mg/kg has nonsignificant decreases for all measured histology parameters (ankle inflammation, pannus formation, cartilage damage, and bone resorption), Mid-dose (10 mg/kg) treatment significantly decreases pannus and bone resorption (33%) as well as summed scores (27%), while at high dose (30 mg/kg), all parameters are significantly decreased (87-96%). The ED50 value for the summed scores is 14 mg/kg. |
| Target | Glucocorticoid Receptor; Cytochrome P450; HCV Protease |
| XLogP3-AA | 3.7 |
