For research use only. Not for therapeutic Use.
ML381 (VU0488130) is a highly selective, central nervous system penetrant mAChR M5 orthogonal antagonist (IC50 = 450 nM; Ki = 340 nM). ML381 is unstable in rat plasma and can be mainly used as a molecular probe for in vitro and electrophysiological studies[1][2].
ML381 (0.2 mg/kg; i.v.; single) possesses an overall acceptable DMPK profile for pharmacodynamic studies in rat, with the exception of poor metabolic stability and a potential for amide hydrolysis in plasma; as such, ML381 is best suited to use as an in vitro/electrophysiological probe[1].
| Catalog Number | I008106 |
| CAS Number | 1623481-80-0 |
| Synonyms | 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,2-oxazole-3-carboxamide |
| Molecular Formula | C21H21N3O4 |
| Purity | ≥95% |
| InChI | InChI=1S/C21H21N3O4/c1-14(19-9-4-5-10-22-19)24(3)21(26)20-12-18(28-23-20)13-27-17-8-6-7-16(11-17)15(2)25/h4-12,14H,13H2,1-3H3/t14-/m0/s1 |
| InChIKey | JMYDHMCYZKRDPD-AWEZNQCLSA-N |
| SMILES | CC(C1=CC=CC=N1)N(C)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C |
| Reference | [1]. Gentry PR, et al. Discovery, synthesis and characterization of a highly muscarinic acetylcholine receptor (mAChR)-selective M5-orthosteric antagonist, VU0488130 (ML381): a novel molecular probe. ChemMedChem. 2014 Aug;9(8):1677-82. |
