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EGFR inhibitor is a 4, 6-disubstitutable pyrimidine compound that penetrates cells and is a highly selective inhibitor of EGFR kinase with IC50 of 21 nM. EGFR inhibitor can directly depolymerize microtubules, which can be used as a chemical probe to study EGFR pathway and microtubule kinetics.
Brand: BCM
Target: EGFR (WT):21 nM (IC50);EGFRL858R:63 nM (IC50);EGFRL861Q:4 nM (IC50);HER4:7640 nM (IC50)
pKa: 14.50±0.70(Predicted)
Solubility: Soluble in DMSO; soluble in Ethanol. Insoluble in Water.
Isomeric SMILES: C1CC1C(=O)NC2=CC=CC(=C2)NC3=NC=NC(=C3)NC4=CC=CC(=C4)C(F)(F)F
InChIKey: YOHYSYJDKVYCJI-UHFFFAOYSA-N
InChI: InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
Attribute [Chem Name] N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide [Synonym] EGFR Inhibitor; EGFR-IN-12 [CAS No.] 879127-07-8 [MDL No.] MFCD13191284 [Formula] C21H18F3N5O [Molecular] 413.4 [Form] Crystalline solid [Storage] Keep in dark place. Inert atmosphere. Room temperature
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