BIO-5192

BIO-5192 is an inhibitor of integrin alpha4beta1, also known as very late antigen-4 (VLA-4, IC50 = 1.8 nM). It is selective for integrin alpha4beta1 over the integrins alpha4beta7, alpha9beta1, and alpha2beta1 (IC50s = >500, 138, and 1,053 nM, respectively). BIO-5192 (1 µg/ml) inhibits the adhesion of alpha4beta1-expressing A20 cells to fibronectin-coated plates. It improves limb function in a rat model of experimental autoimmune encephalomyelitis (EAE) induced by myelin basic protein (MBP) peptide when administered at a dose of 30 mg/kg twice per day. InChI: InChI=1S/C38H46Cl2N6O8S/c1-23(2)18-33(45(4)34(47)19-25-11-13-28(14-12-25)42-38(52)44-30-9-6-5-8-24(30)3)35(48)41-16-15-31(37(50)51)43-36(49)32-10-7-17-46(32)55(53,54)29-21-26(39)20-27(40)22-29/h5-6,8-9,11-14,20-23,31-33H,7,10,15-19H2,1-4H3,(H,41,48)(H,43,49)(H,50,51)(H2,42,44,52)/t31-,32-,33-/m0/s1 InChIKey: MNQBPRHHZPXCKZ-ZDCRTTOTSA-N SMILES: ClC1=CC(S(N2CCC[C@H]2C(N[C@@H](CCNC([C@@H](N(C(CC3=CC=C(NC(NC4=C(C)C=CC=C4)=O)C=C3)=O)C)CC(C)C)=O)C(O)=O)=O)(=O)=O)=CC(Cl)=C1