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About This Item

Empirical Formula (Hill Notation):
C28H29N5OS
CAS Number:
873225-46-8
Molecular Weight:
483.63
MDL number:
MFCD23704180
UNSPSC Code:
12352200
NACRES:
NA.77
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Quality Level

100

Assay

≥97% (HPLC)

form

liquid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
avoid repeated freeze/thaw cycles
desiccated (hygroscopic)
protect from light

storage temp.

−70°C

SMILES string

[s]1c2c(cc1c3nc(ncc3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6)cccc2

InChI

1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)

InChI key

BWZJBXAPRCVCKQ-UHFFFAOYSA-N

General description

A cell-permeable benzamido-pyrimidine compound that acts as a potent, selective, and ATP-competitive inhibitor of IKK (IC50 = 40, 70, and 200 nM for IKK-2, IKK complex, and IKK-1, respectively). Inhibits cellular IκBα degradation and NF-κB-mediated gene expression in vitro in HUVEC cells and has been shown to exhibit excellent in vivo efficacy both in mice and rats.

Biochem/physiol Actions

Cell permeable: yes
Primary Target
IKK-2, IKK complex, and IKK-1
Reversible: yes

Packaging

Packaged under inert gas

Physical form

A 10 mM (500 µg/103 µL) sterile-filtered solution of IKK Inhibitor VII (Cat. No. 401486) in DMSO.

Preparation Note

Following initial thaw, aliquot and freeze (-20°C). Aliquots are stable for up to 6 months at -20°C.

Other Notes

Waelchli, R., et al. 2006. Bioorg. Med. Chem. Lett.16, 108.

Legal Information

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

Disclaimer

Toxicity: Irritant (B)

Certificates of Analysis (COA)

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