For research use only. Not for therapeutic Use.
Potent chemokine CXCR3 antagonist, exhibiting IC50 value of 60 nM in a calcium mobilization functional assay; dose-dependently inhibiting CXCR3 functional response to CXCL11 as measured by T-cell chemotaxis, with a potency of about 100 nM
| Catalog Number | I047566 |
| CAS Number | 870998-13-3 |
| Molecular Formula | C30H32Cl3N5O3 |
| Purity | ≥95% |
| IUPAC Name | 4-[2-[(3-chlorobenzoyl)amino]-4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide |
| InChI | InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40) |
| SMILES | CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=C(C=C(C=C3)Cl)Cl)NC(=O)C4=CC(=CC=C4)Cl |
| Reference | AG Cole et al. Identification and initial evaluation of 4-N-aryl-[1,4]diazepane ureas as potent CXCR3 antagonists. Bioorg. Med. Chem. Let. 2006, 16(1), 200-203. |
