Avoralstat

Avoralstat is an inhibitor of kallikrein, a serine protease involved in the contact activation system. It inhibits kallikrein activity in isolated human plasma (EC50s = 1.14-11.1 nM). Avoralstat also inhibits transmembrane serine protease 2 (TMPRSS2, IC50 = 2.73 nM), a serine protease required for entry of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) into host cells. It inhibits SARS-CoV-2 pseudovirus entry into Calu-3 2B4 cells (EC50 = 0.7 µM). Avoralstat (30 mg/kg) reduces or prevents the accumulation of lung viral titers in mouse models of SARS-CoV-2 infection or prophylaxis, respectively, using Ad5-hACE2 mice that are sensitive to SARS-CoV-2 infection.Formal Name: 3-[2-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-4-ethenyl-5-methoxyphenyl]-6-[[(cyclopropylmethyl)amino]carbonyl]-2-pyridinecarboxylic acid. CAS Number: 918407-35-9. Synonyms: BCX 4161. Molecular Formula: C28H27N5O5. Formula Weight: 513.6. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: 50 mg/ml. lambdamax: 218, 246, 286 nm. SMILES: O=C(C1=C(C2=C(C(NC3=CC=C(C(N)=N)C=C3)=O)C=C(C=C)C(OC)=C2)C=CC(C(NCC4CC4)=O)=N1)O. InChi Code: InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37). InChi Key: TUWMKPVJGGWGNL-UHFFFAOYSA-N.