BIO-1211 (trifluoroacetate salt)

BIO-1211 is a peptide inhibitor of alpha4beta1 integrin (IC50 = 0.004 µM). It is selective for alpha4beta1 integrin over alpha4beta7 (IC50 = 2 µM), as well as alpha1beta1, alpha5beta1, alpha6beta1, alphaLbeta2, and alphaIIbbeta3 (IC50s = >100 µM for all). BIO-1211 binds to alpha4beta1 (IC50 = 1 nM) and inhibits Jurkat cell adhesion (IC50 = 4 nM). Inhaled administration of BIO-1211 (3 mg/animal) prevents carbachol-induced airway hyperresponsiveness in an ovine model of allergy-induced asthma.Formal Name: N-[2-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]-L-leucyl-L-alpha-aspartyl-L-valyl-L-proline, trifluoroacetate salt. Molecular Formula: C36H48N6O9 . XCF3COOH. Formula Weight: 708.8. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble. lambdamax: 258 nm. SMILES: CC(C=CC=C1)=C1NC(NC(C=C2)=CC=C2CC(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N3[C@@H](CCC3)C(O)=O)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O. InChi Code: InChI=1S/C36H48N6O9.C2HF3O2/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50,3-2(4,5)1(6)7/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51),(H,6,7)/t26-,27-,28-,31-,/m0./s1. InChi Key: NMTAUOFQNNRBTK-LTQJSTEVSA-N.