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Merck

5.05378

IKK Inhibitor VII

InSolution, ≥97%, 10 mM in DMSO, potent, selective, and ATP-competitive inhibitor of IKK

Synonym(s):

InSolution IKK Inhibitor VII, (4-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone, InSolution IKK Inhibitor VII, IKK 16, IKK 16, (4-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone, InSolution IKK Inhibitor VII

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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

Key Documents

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Product Name

IKK Inhibitor VII, InSolution, ≥97%, 10 mM in DMSO, potent, selective, and ATP-competitive inhibitor of IKK

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

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

Quality Level

100

Related Categories

Biochem/physiol Actions

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

Disclaimer

Toxicity: Irritant (B)

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.

Other Notes

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

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.

Legal Information

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

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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