IT1t (hydrochloride)

IT1t is a chemokine (C-X-C motif) receptor 4 (CXCR4) antagonist (IC50s = 8 and 11 nM for the human and rat receptors, respectively). It is selective for CXCR4 over human ether-a-go-go-related gene potassium channels (hERG/Kv11.1, IC50 = 13,240 nM). IT1t inhibits calcium mobilization induced by chemokine (C-X-C-motif) ligand 12 (CXCL12) in CEM cells (IC50 = 1.1 nM) and decreases CXCL12-induced migration of Jurkat cells (IC50 = 79.1 nM). It inhibits replication of the HIV-1 strain NL4-3 in MT-4 cells and isolated human peripheral blood mononuclear cells (PBMCs) stimulated with phytohemagglutinin (PHA, IC50s = 14.2 and 19 nM, respectively). IT1t (20 µM) reduces tumor growth in an MDA-MB-231-B zebrafish xenograft model.Formal Name: N,N'-dicyclohexyl-carbamimidothioic acid, (5,6-dihydro-6,6-dimethylimidazo[2,1-b]thiazol-3-yl)methyl ester, dihydrochloride. CAS Number: 1092776-63-0. Molecular Formula: C21H34N4S2 . 2HCl. Formula Weight: 479.6. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: soluble. lambdamax: 233 nm. SMILES: CC1(C)CN2C(SC=C2CS/C(NC3CCCCC3)=N/C4CCCCC4)=N1.Cl.Cl. InChi Code: InChI=1S/C21H34N4S2.2ClH/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17,,/h14,16-17H,3-13,15H2,1-2H3,(H,22,23),2*1H. InChi Key: HFXJOXOIINQOEB-UHFFFAOYSA-N.