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565788

β-Secretase Inhibitor IV

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

Synonym(s):

β-Secretase Inhibitor IV, BACE Inhibitor C3

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About This Item

Empirical Formula (Hill Notation):
C31H38N4O5S
CAS Number:
797035-11-1
Molecular Weight:
578.72
UNSPSC Code:
12352200
MDL number:
MFCD09037559
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
solid
Storage condition:
OK to freeze, protect from light
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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 Segment

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

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-APPNFEV 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)

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Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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