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331770-21-9

331770-21-9 Structure

331770-21-9 Structure
IdentificationBack Directory
[Name]

Aurora Kinase Inhibitor II
[CAS]

331770-21-9
[Synonyms]

IUN-70219
Aurora kinase inhibitor-2
N-(4-((6,7-Dimethoxyquinazolin-4-yl)amino)phenyl)benzamide
inhibit,Aurora-A,Aurora kinase inhibitor2,Aurora Kinase,ATP-competitive,Aurora kinase inhibitor 2,Aurora kinase inhibitor-2,Aurora-B,Inhibitor
[Molecular Formula]

C23H20N4O3
[MDL Number]

MFCD13191283
[MOL File]

331770-21-9.mol
[Molecular Weight]

400.43
Chemical PropertiesBack Directory
[Boiling point ]

518.6±50.0 °C(Predicted)
[density ]

1.321±0.06 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

DMF:0.25(Max Conc. mg/mL);0.62(Max Conc. mM)
DMF:PBS(pH7.2) (1:2):0.33(Max Conc. mg/mL);0.82(Max Conc. mM)
DMSO:2.5(Max Conc. mg/mL);6.2(Max Conc. mM)
[form ]

A crystalline solid
[pka]

13.01±0.70(Predicted)
[color ]

White to yellow
[InChI]

1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
[InChIKey]

IMYVCWQAHSYYOO-UHFFFAOYSA-N
Safety DataBack Directory
[WGK Germany ]

WGK 1
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

The Aurora kinases are a family of serine/threonine kinases that are key regulators of mitosis and cytokinesis. Aurora kinase inhibitor II is a cell-permeable anilinoquinazoline that blocks the activity of Aurora A (IC50 = 0.39 μM). In MCF-7 cells, it blocks proliferation with an IC50 value of 1.25 μM.
[Uses]

Aurora kinase inhibitor-2 is a selective and ATP-competitive Aurora kinase inhibitor with IC50s of 310 nM and 240 nM for Aurora A and Aurora B, respectively[1].
[IC 50]

Aurora A: 310 nM (IC50); Aurora B: 240 nM (IC50)
[References]

[1] Andrew A Mortlock, et al. Progress in the development of selective inhibitors of aurora kinases. Curr Top Med Chem. 2005;5(8):807-21. DOI:10.2174/1568026054637719
[2] Nicola M Heron, et al. SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1320-3. DOI:10.1016/j.bmcl.2005.11.053
Spectrum DetailBack Directory
[Spectrum Detail]

Aurora Kinase Inhibitor II(331770-21-9)1HNMR
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