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ChemicalBook--->CAS DataBase List--->879127-16-9

879127-16-9

879127-16-9 Structure

879127-16-9 Structure
IdentificationBack Directory
[Name]

Aurora Kinase Inhibitor III
[CAS]

879127-16-9
[Synonyms]

AKI-7169
Aurora Kinase Inhibitor 3
Aurora Kinase Inhibitor III
AKI-7169(Aurora Kinase Inhibitor III)
Aurora Kinase Inhibitor III - CAS 879127-16-9 - Calbiochem
N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide
Cyclopropanecarboxamide, N-[3-[[4-[[3-(trifluoromethyl)phenyl]amino]-2-pyrimidinyl]amino]phenyl]-
Cyclopropanecarboxylic acid {3-[4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino]-phenyl}-amide
Cyclopropanecarboxylic acid {3-[4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino]-phenyl}-amide >=98% (HPLC), solid
[Molecular Formula]

C21H18F3N5O
[MDL Number]

MFCD09265250
[MOL File]

879127-16-9.mol
[Molecular Weight]

413.4
Chemical PropertiesBack Directory
[density ]

1.456±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

H2O: <2mg/mL
[form ]

White solid
[pka]

14.51±0.70(Predicted)
[color ]

white
[Water Solubility ]

H2O: <2mg/mL
DMSO: >7mg/mL
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Aurora kinase inhibitor-3 is a strong and selective Aurora A kinase inhibitor with an IC50 of 42 nM, and weakly inhibits EGFR with an IC50 of >10 μM. Aurora kinase inhibitor-3 has a binding mode with the cyclopropanecarboxylic acid moiety directed towards the solvent exposed region of the ATP-binding pocket[1].
[General Description]

A cell-permeable 2,4-dianilinopyrimidine compound that acts as an ATP-competitive, potent, but non-selective inhibitor of Aurora A (IC50 = 42 nM). At higher concentrations, also inhibits the activities of other kinases, such as Lck, Bmx, IGF-1R, and Syk (IC50 = 131, 386, 591, and 887 nM, respectively).
[Biochem/physiol Actions]

Target IC50: 42 nM against Aurora A; 131, 386, 591, and 887 nM, against Lck, Bmx, IGF-1R, and Syk , respectively
[IC 50]

Aurora A: 42 nM (IC50)
[References]

[1] Tari LW, et al. Structural basis for the inhibition of Aurora A kinase by a novel class of high affinitydisubstituted pyrimidine inhibitors. Bioorg Med Chem Lett. 2007 Feb 1;17(3):688-91. DOI:10.1016/j.bmcl.2006.10.086
Spectrum DetailBack Directory
[Spectrum Detail]

Aurora Kinase Inhibitor III(879127-16-9)1HNMR
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