565794

β-Secretase Inhibitor IV

InSolution, ≥95%

• Sinónimos: InSolution β-Secretase Inhibitor IV, N-(1 S, 2 R)-1-Benzyl-3-(cyclopropylamino)-2-hydroxypropyl)-5-(methyl(methylsulfonyl)amino-Nʹ-((1 R)-1-phenylethyl)isophthalamide
• Fórmula empírica (notación de Hill): C₃₁H₃₈N₄O₅S
• Número de CAS: 797035-11-1
• Peso molecular: 578.72
• Número MDL: MFCD09037559
• Código UNSPSC: 12352200
• NACRES: NA.54

Propiedades

• Nivel de calidad: 100
• Ensayo: ≥95% (HPLC)
• Formulario: liquid
• fabricante / nombre comercial: Calbiochem^®
• condiciones de almacenamiento: OK to freeze; avoid repeated freeze/thaw cycles; desiccated (hygroscopic); protect from light
• Condiciones de envío: dry ice
• temp. de almacenamiento: −70°C
• cadena SMILES: O=C(C1=CC(C(N[C@@H](CC2=CC=CC=C2)[C@H](O)CNC3CC3)=O)=CC(N(S(C)(=O)=O)C)=C1)N[C@H](C)C4=CC=CC=C4
• 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
• Clave InChI: VPNIQGRFZCTBEZ-SPTGULJVSA-N

Descripción

Descripción general

A cell-permeable isophthalamide compound containing hydroxyethylamine motif that binds to BACE-1 active site and potently blocks its proteolytic activity (IC₅₀ = 15 nM for BACE-1, human and 29 nM for sAPP_NF in HEK293-APP^NFEV cells). Displays greater selectivity over other aspartyl proteases (IC₅₀ = 0.23 µM, 7.6 µM and >50 µM for BACE-2, cathepsin D, and renin, respectively). The solid form of this compound (Cat. No. 565788) is also available.

Acciones bioquímicas o fisiológicas

Cell permeable: yes

Primary Target
β-Secretase

Reversible: yes

Target IC₅₀: 15 nM for BACE-1, human and 29 nM for sAPP_NF in HEK293-APP^NFEV cells

Envase

Packaged under inert gas

Advertencia

Toxicity: Irritant (B)

Forma física

A 10 mM (500 µg/86.4 µL) solution of β-Secretase Inhibitor IV (Cat. No. 565788) in DMSO.

Reconstitución

Following initial thaw, aliquot and freeze (-70°C). Aliquots are stable for up to 6 months at -70°C. For short term storage, aliquots are stable for up to 3 months at -20°C.

Otras notas

Stachel, S.J., et al. 2004. J. Med. Chem.47, 6447.

Información legal

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Información de seguridad

• Código de clase de almacenamiento: 10 - Combustible liquids
• Clase de riesgo para el agua (WGK): WGK 1
• Punto de inflamabilidad (°F): 188.6 °F - closed cup - (refers to pure substance)
• Punto de inflamabilidad (°C): 87 °C - closed cup - (refers to pure substance)