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About This Item
Empirical Formula (Hill Notation):
C15H12F2N6O3S · xC2H3N
CAS Number:
Molecular Weight:
394.36
MDL number:
UNSPSC Code:
12352202
NACRES:
NA.54
Assay:
≥97% (HPLC)
Form:
solid
Quality level:
Storage condition:
OK to freeze, protect from light
Quality Level
assay
≥97% (HPLC)
form
solid
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze, protect from light
color
white
solubility
DMSO: 15 mg/mL
shipped in
ambient
storage temp.
2-8°C
SMILES string
Fc1c(c(ccc1)F)C(=O)N2NC(=NC2=N)Nc3ccc(cc3)[S](=O)(=O)N
InChI
1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
InChI key
KDKUVYLMPJIGKA-UHFFFAOYSA-N
General description
A cell-permeable triazolylsulfonamido compound that acts a reversible, ATP-competitive kinase inhibitor with selectivities towards Aurora kinases (IC50 = 11 and 15 nM for Aurora-A, Aurora-B, respectively) and Cdk′s (IC50 = 9, 4, and 3 nM for Cdk1/B, Cdk2/A, and Cdk2/E, respectively). Displays antitumor properties both in vitro (IC50 in the range of 112 - 514 nM against various human cancer cell lines) and in a xenograft murine model in vivo (75-100 mg/kg, i.p.).
Biochem/physiol Actions
Cell permeable: yes
Primary Target
Aurora Kinase/Cdk
Aurora Kinase/Cdk
Product competes with ATP.
Reversible: yes
Target IC50: 11 and 15 nM for Aurora-A, Aurora-B, respectively; 9, 4, and 3 nM for Cdk1/B, Cdk2/A, and Cdk2/E, respectively
Packaging
Packaged under inert gas
Preparation Note
Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.
Other Notes
Emanuel, S., et al. 2005. Cancer Res.65, 9038.
Lin R., et al. 2005. J. Med. Chem.48, 4208.
Lin R., et al. 2005. J. Med. Chem.48, 4208.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Harmful (C)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Certificates of Analysis (COA)
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 189406-5MG | 04055977221756 |