SML3013

LY2886721

≥98% (HPLC)

• Synonym(s): LY 2886721, LY-2886721, N-(3-((4aS,7aS)-2-Amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide, N-[3-[(4aS ,7aS )-2-Amino-4a,5-dihydro-4H-furo[3,4-d ][1,3]thiazin-7a(7H )-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide
• Empirical Formula (Hill Notation): C₁₈H₁₆F₂N₄O₂S
• CAS Number: 1262036-50-9
• Molecular Weight: 390.41
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD22124078
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: FC1=CC=C(NC(C2=CC=C(C=N2)F)=O)C=C1[C@@]34[C@@](CSC(N)=N4)([H])COC3
• InChI: 1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
• InChI key: NIDRNVHMMDAAIK-YPMLDQLKSA-N

Description

Biochem/physiol Actions

Orally active, potent and selective β-secretase (BACE) active site inhibitor with amyloid β-lowering efficacy in cultures and in animal models in vivo.

Y2886721 is an orally active, potent and selective β-secretase (BACE) active site inhibitor (human BACE1/2 IC50 = 20.3/10.2 nM; cathepsin D/pepsin/renin IC50 >10 μM). Y2886721 exhibits amyloid β-lowering efficacy in cultures (Aβ1-40/Aβ1-42 IC50 = 18.5/19.7 nM with APP751 Swedish mutation-expressing HEK293 and 10.7/9.2 nM with primary cortical neurons from PDAPP transgenic mouse embryos) and in animal models in vivo (3-30 mg/kg PDAPP mice, 1.5 mg/kg beagle dogs; p.o.).

Safety Information

• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable