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About This Item
Empirical Formula (Hill Notation):
C20H28N6O3
CAS Number:
Molecular Weight:
400.47
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
solid
Quality level:
Storage condition:
OK to freeze, protect from light
Quality Level
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
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.
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
11 - Combustible Solids
wgk
WGK 1
Certificates of Analysis (COA)
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