For research use only. Not for therapeutic Use.
VSN35111; , also known as BACE-1 Inhibitor, β-Secretase Inhibitor IV, is an inhibitor of β-site amyloid protein cleaving enzymes (BACE/β-secretase) 1 and 2 (IC50s = 15 and 230 nM for human BACE1 and 2, respectively). This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
| Catalog Number | I038123 |
| CAS Number | 797035-11-1 |
| Synonyms | BACE-1 Inhibitor; β-Secretase Inhibitor IV; BACE IV; VSN35111; VSN-35111; VSN 35111; Axon 1125; Axon-1125; Axon1125; |
| Molecular Formula | C31H38N4O5S |
| Purity | 98% |
| Target | Beta-secretase |
| Solubility | To be determined |
| Appearance | Solid powder |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | N1-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-1,3-benzenedicarboxamide |
| InChI | InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 |
| InChIKey | VPNIQGRFZCTBEZ-SPTGULJVSA-N |
| SMILES | O=C(C1=CC(N(C)S(=O)(C)=O)=CC(C(N[C@@H](C2=CC=CC=C2)C)=O)=C1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CNC4CC4 |
| Reference | 1. Stachel, S.J., Coburn, C.A., Steele, T.G., et al. Structure-based design of potent and selective cell-permeable inhibitors of human ß-secretase (BACE-1). Journal of Medicinal Chemistry 47(26), 6447-6450 (2004). |
