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About This Item

Empirical Formula (Hill Notation):
C20H28N6O3
CAS Number:
199986-75-9
Molecular Weight:
400.47
MDL number:
MFCD06411412
UNSPSC Code:
12352200
NACRES:
NA.77
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Quality Level

100

Assay

≥98% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
protect from light

color

white

solubility

DMSO: 10 mg/mL

shipped in

ambient

storage temp.

2-8°C

SMILES string

[n]1(c2nc(nc(c2nc1)NCc3ccc(cc3)OC)N(CCO)CCO)C(C)C

InChI

1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)

InChI key

NQVIIUBWMBHLOZ-UHFFFAOYSA-N

General description

A cell-permeable purine analog that acts as a potent, selective, reversible, and ATP-competitive inhibitor of Cdk2 (IC50 = 0.5 µM for Cdk2/A and Cdk2/E; 4.2 µM for Cdk1/B; 215 µM for Cdk4/D1). Inhibits other kinases only at much higher concentrations (IC50 >1.25 mM for MAPK, PKA, and PKC). Shown to induce tumor cells growth arrest (IC50 = ~1.25-20 µM) in vitro and prevent neointima formation in vivo.

Biochem/physiol Actions

Cell permeable: yes
Primary Target
Cdk2/A, Cdk2/E
Product competes with ATP.
Reversible: yes
Target IC50: 0.5 µM for Cdk2/A and Cdk2/E; 4.2 µM for Cdk1/B; 215 µM for Cdk4/D1

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

Bhattacharjee, R.N., et al. 2001. Mol. Cell. Biol.21, 5417.
Brooks, E.E., et al. 1997. J. Biol. Chem.272, 29207.

Legal Information

Sold under license of U.S. Patents 6,617,331 and 6,803,371.
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Carcinogenic / Teratogenic (D)

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

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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