For research use only. Not for therapeutic Use.
Valategrast (CAT: I016783) is an orally active prodrug of the α4-integrin antagonist SRP-299. It was developed to inhibit α4-integrin–mediated leukocyte adhesion and migration, mechanisms central to autoimmune and inflammatory disorders. Valategrast blocks interactions between α4-integrins and vascular cell adhesion molecule-1 (VCAM-1), thereby suppressing T-cell trafficking and inflammatory responses. Preclinical and clinical studies have explored its potential in multiple sclerosis, Crohn’s disease, and other inflammatory pathologies. As a selective integrin pathway modulator, Valategrast is a valuable compound for research in immunology, inflammation, and autoimmune disease therapeutics.
| CAS Number | 220847-86-9 |
| Synonyms | 2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate |
| Molecular Formula | C30H32Cl3N3O4 |
| Purity | ≥95% |
| IUPAC Name | 2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate |
| InChI | InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1 |
| InChIKey | VZVNFRFMDNFPOM-VWLOTQADSA-N |
| SMILES | CCN(CC)CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
