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LY2811376 - ≥99%, high purity , CAS No.1194044-20-6, Inhibitor of beta-secretase 1
Selective Beta-secretase inhibitor
Basic Description Synonyms 1194044-20-6|LY2811376|(S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine|LY-2811376|LY 2811376|UR18YJ97SJ|CHEMBL2333941|J3.079.793K|(4s)-4-[2,4-Difluoro-5-(Pyrimidin-5-Yl)phenyl]-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin- Specifications & Purity ≥99% Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of beta-secretase 1 Product Description LY2811376 is the first orally available non-peptidic β-secretase(BACE1) inhibitor with IC50 of 239 nM-249 nM, that act to decrease Aβ secretion with EC50 of 300 nM, demonstrated to have 10-fold selectivity towards BACE1 over BACE2, and more than 50-fold inhibition over other aspartic proteases including cathepsin D, pepsin, or renin. Phase 1.
Names and Identifiers IUPAC Name (4S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine INCHI InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 InChi Key MJQMRGWYPNIERM-HNNXBMFYSA-N Canonical SMILES CC1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F Isomeric SMILES C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F PubChem CID 44251605 Molecular Weight 320.36
Chemical and Physical Properties Solubility DMSO 16 mg/mL (49.94 mM);Water <1 mg/mL (<1 mM);Ethanol 64 mg/mL (199.77 mM)
References 1. May PC, Dean RA, Lowe SL, Martenyi F, Sheehan SM, Boggs LN, Monk SA, Mathes BM, Mergott DJ, Watson BM et al. . (2011) Robust central reduction of amyloid-β in humans with an orally available, non-peptidic β-secretase inhibitor.. J Neurosci, 31 (46): (16507-16). [PMID:22090477 ]
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