565788

β-Secretase Inhibitor IV

≥98% (HPLC), solid, β-secretase inhibitor, Calbiochem^®

• Synonym(s): β-Secretase Inhibitor IV, BACE Inhibitor C3
• Empirical Formula (Hill Notation): C₃₁H₃₈N₄O₅S
• CAS Number: 797035-11-1
• Molecular Weight: 578.72
• MDL number: MFCD09037559
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Product Name: β-Secretase Inhibitor IV, β-Secretase Inhibitor IV, CAS 797035-11-1, is a cell-permeable inhibitor that binds to BACE-1 active site and blocks its proteolytic activity (IC₅₀ = 15 nM for human BACE-1).
• Quality Level: 100
• assay: ≥98% (HPLC)
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: white
• solubility: DMSO: 100 mg/mL
• shipped in: ambient
• storage temp.: 2-8°C
• SMILES string: [S](=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c4ccccc4)C(=O)N[C@H]([C@H](O)CNC3CC3)Cc2ccccc2)C
• 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
• InChI key: VPNIQGRFZCTBEZ-SPTGULJVSA-N

Description

General description

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). Also available as a 10 mM solution in DMSO (Cat. No. 565794).Please note that the molecular weight for this compound is batch-specific due to variable water content.

Biochem/physiol Actions

Cell permeable: yes

Primary Target
BACE-1 human

Product does not compete with ATP.

Reversible: no

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

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.

Other Notes

Halima, S.B., et al. 2016. Cell Reports.14, In press.
Stachel, S.J., et al. 2004. J. Med. Chem.47, 6447.

Solubilize in DMSO (10 mg/ml), aliquot & store at -20*C; stable for 3 months.

Legal Information

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

Disclaimer

Toxicity: Standard Handling (A)

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable