For research use only. Not for therapeutic Use.
BIO5192 hydrate(Cat No.:I045776)is a highly selective small-molecule antagonist of the α4β1 integrin (also known as VLA-4), a cell adhesion receptor critical in leukocyte trafficking and immune cell interactions. By blocking α4β1-mediated binding to vascular cell adhesion molecule-1 (VCAM-1) and fibronectin, BIO5192 disrupts immune cell adhesion and migration. The hydrate form ensures stability and solubility for experimental applications. Researchers use BIO5192 hydrate to study inflammation, autoimmune diseases, and hematologic malignancies. It also serves as a tool for evaluating therapeutic strategies targeting integrin signaling in immunology and oncology research.
Molecular Formula | C38H46Cl2N6O8S.1/2H2O |
Purity | ≥95% |
IUPAC Name | (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-[[(2S)-4-methyl-2-[methyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]butanoic acid;hydrate |
InChI | InChI=1S/C38H46Cl2N6O8S.H2O/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);1H2/t31-,32-,33-;/m0./s1 |
InChIKey | UFRUIJQWPWSBMC-ZVJUSMSMSA-N |
SMILES | CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(C)[C@@H](CC(C)C)C(=O)NCC[C@@H](C(=O)O)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl.O |
Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |