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879127-16-9

879127-16-9 structure
879127-16-9 structure
  • Name: Aurora Kinase Inhibitor 3
  • Chemical Name: N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide
  • CAS Number: 879127-16-9
  • Molecular Formula: C21H18F3N5O
  • Molecular Weight: 413.39600
  • Catalog: Signaling Pathways Cell Cycle/DNA Damage Aurora Kinase
  • Create Date: 2016-05-02 04:30:52
  • Modify Date: 2024-01-14 09:17:30
  • 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>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, and several induced structural changes in the active-site compared with other published AIK structures[1].

Name N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide
Synonyms Cyclopropanecarboxylic acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-amide
Anilinopyrimidine1
2np8
Aurora Kinase Inhibitor III
N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
Description 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>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, and several induced structural changes in the active-site compared with other published AIK structures[1].
Related Catalog
Target

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.

Molecular Formula C21H18F3N5O
Molecular Weight 413.39600
Exact Mass 413.14600
PSA 85.66000
LogP 5.47550
RIDADR NONH for all modes of transport
HS Code 2933599090
HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%