TAK-779

TAK-779 is an antagonist of chemokine receptor 5 (CCR5), CCR2b, and CXC chemokine receptor 3 (CXCR3). It inhibits CCR5 and CXCR3 (IC50s = 236 and 369 nM, respectively, for mouse recombinant receptors expressed in 2B4 T cells) and CCR5 and CCR2b (IC50s = 1.4 and 27 nM, respectively, for human recombinant receptors expressed in CHO cells). TAK-779 inhibits the replication of clinical isolates of R5, but not X4, HIV-1 in human peripheral blood mononuclear cells (PBMCs, EC50s = 1.6-3.5 and >20,000 nM, respectively). TAK-779 (250 mg/animal per day) inhibits ovalbumin-induced increases in CCR5, CXCR3, IFN-gamma, and TNF-alpha expression in mouse lung, as well as the number of total cells, lymphocytes, and eosinophils in bronchoalveolar lavage fluid (BALF), in a mouse model of asthma. It also increases intestinal allograft survival in a rat model of small intestine transplantation when administered at a dose of 10 mg/kg per day.Formal Name: N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium, monochloride. CAS Number: 229005-80-5. Molecular Formula: C33H39N2O2 . Cl. Formula Weight: 531.1. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 20 mg/ml, Water: 10 mg/ml. lambdamax: 261 nm. SMILES: C[N+](CC1=CC=C(NC(C2=CC3=C(C=CC(C4=CC=C(C)C=C4)=C3)CCC2)=O)C=C1)(C)C5CCOCC5. InChi Code: InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1. InChi Key: XNHZXMPLVSJQFK-UHFFFAOYSA-O.