YYA-021

YYA-021 is a small molecule CD4 mimetic that competitively inhibits gp120 from interacting with CD4, preventing HIV entry into cells. It inhibits infection of PM1/CCR5 cells from lab isolates of the HIV-1 strains IIIB (X4, Sub B) and 89.6 (dual, Sub B) (IC50s = 23 and 41 µM, respectively) as well as clinical isolates of the fTOI (R5, Sub B) and KYAG strains (R5, Sub B) (IC50s = 16 and 51 µM, respectively). It also inhibits HIV-1 infection of TZM-bl cells (IC50 = 8.4 µM) and reduces viability of mock-infected PM1/CCR5 cells with cytotoxic concentration (CC50) values of 260 µM.Formal Name: N1-(4-methylphenyl)-N2-(2,2,6,6-tetramethyl-4-piperidinyl)-ethanediamide. CAS Number: 144217-65-2. Molecular Formula: C18H27N3O2. Formula Weight: 317.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 12 mg/ml, DMF:PBS (pH7.2) (1:30): 0.03 mg/ml, DMSO: 5 mg/ml, Ethanol: 0.125 mg/ml. lambdamax: 276 nm. SMILES: CC1(C)CC(NC(C(NC2=CC=C(C)C=C2)=O)=O)CC(C)(C)N1. InChi Code: InChI=1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23). InChi Key: AYAGJQPDCPRMNG-UHFFFAOYSA-N.