BMS-806

BMS-806 is a small molecule that inhibits the first step of HIV-1 infection by blocking the binding of host cell CD4 with viral gp120 protein. It binds the exterior envelope glycoprotein gp120 (Kd= 21.1 nM, Ki = 24.9 nM), blocking the conformational change that occurs with CD4 binding and preventing fusion of the viral and target cell membranes. BMS-806 is specific to HIV-1 irrespective of chemokine receptor preference, with no activity against HIV-2, SIV, or a panel of additional viruses.Formal Name: 1-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-ethanedione. CAS Number: 357263-13-9. Synonyms: BMS-378806. Molecular Formula: C22H22N4O4. Formula Weight: 406.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 12 mg/mL, DMSO: 12 mg/mL, DMSO:PBS (pH 7.2) (1:1): 0.5 mg/mL. lambdamax: 245 nm. SMILES: O=C(N1C[C@@H](C)N(C(C(C2=CNC3=C2C(OC)=CC=N3)=O)=O)CC1)C4=CC=CC=C4. InChi Code: InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1. InChi Key: OKGPFTLYBPQBIX-CQSZACIVSA-N.