For research use only. Not for therapeutic Use.
Potent and specific integrin α4β1 or very late antigen 4 (VLA-4) receptor antagonist binding to vascular cell adhesion molecule-1 (VCAM-1) and fibronectin; HMR1031 is a potential inhaled drug for the treatment of asthma
| Catalog Number | I028812 |
| CAS Number | 479203-71-9 |
| Molecular Formula | C35H41N5O6 |
| Purity | ≥95% |
| IUPAC Name | (3S)-3-[[(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C35H41N5O6/c1-22(2)19-29(31(43)37-28(20-30(41)42)25-12-7-6-8-13-25)40-32(44)35(4,5)39(34(40)46)21-24-15-17-26(18-16-24)36-33(45)38-27-14-10-9-11-23(27)3/h6-18,22,28-29H,19-21H2,1-5H3,(H,37,43)(H,41,42)(H2,36,38,45)/t28-,29-/m0/s1 |
| SMILES | CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CN3C(=O)N(C(=O)C3(C)C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C4=CC=CC=C4 |
| Reference | B Shah et al. Effect of food on pharmacokinetics of an inhaled drug: a case study with a VLA-4 antagonist, HMR1031. J. Clin. Pharmacol. 2003, 43(12), 1341-9.
S Rohatagi et al. Pharmacoscintigraphic comparison of HMR 1031, a VLA-4 antagonist, in healthy volunteers following delivery via a nebulizer and a dry powder inhaler. Am. J. Ther. 2004, 11(2), 103-113.
Z Diamant et al. Effect of a very late antigen-4 receptor antagonist on allergen-induced airway responses and inflammation in asthma. Clin. Exp. Allergy 2005, 35(8), 1080–1087. |
