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Vercirnon
- GSK-1605786 - CCX282-B - Traficet-EN
- Soluble in DMSO
- MF: C22H21ClN2O4S
- MW: 444.93
Description
Vercirnon is an orally bioavailable selective antagonist of the CCR9 chemokine receptor (IC50 values 5.4 nM and 3.4 nM for CCR9-mediated Ca2+ mobilization and chemotaxis on Molt-4 cells, respectively). Based on studies of the crystal structure, vercirnon binds to the intracellular side of the receptor, exerting allosteric antagonism and preventing G-protein coupling. Vercirnon was developed for treatment of inflammatory bowel disease, including Crohn's disease and celiac disease.
More Information
| Parent CAS No. | 698394-73-9 |
|---|---|
| Chemical Name | 4-(2-(4-Tert-butylphenylsulfonamido)-5-chlorobenzoyl)pyridine 1-oxide |
| SMILES | C1C(Cl)=CC(C(C2C=C[N+]([O-])=CC=2)=O)=C(NS(C2C=CC(C(C)(C)C)=CC=2)(=O)=O)C=1 |
| MFCD | N.A. |
| InChi | InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 |
| InChiKey | JRWROCIMSDXGOZ-UHFFFAOYSA-N |
| CID | 10343454 |
| Short Description | CCR9 antagonist |
References
- MJ Walters et al. Characterization of CCX282-B, an orally bioavailable antagonist of the CCR9 chemokine receptor, for treatment of inflammatory bowel disease. J Pharmacol Exp Ther. 2010 Oct;335(1):61-9.
- B Eksteen et al. GSK-1605786, a selective small-molecule antagonist of the CCR9 chemokine receptor for the treatment of Crohn's disease. IDrugs. 2010 Jul;13(7):472-81.
- C Oswald et al. Intracellular allosteric antagonism of the CCR9 receptor. Nature. 2016 Dec 15;540(7633):462-465.
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