Name: EGFR-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT212670695
Cas No:1625677-63-5
常用名:EGFR-IN-1
IUPAC:N-{3-[2-({4-[2-(dimethylamino)ethoxy]-2-methoxyphenyl}amino)-5-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-8-yl]phenyl}prop-2-enamide
IUPAC:N-{3-[2-({4-[2-(dimethylamino)ethoxy]-2-methoxyphenyl}amino)-5-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-8-yl]phenyl}prop-2-enamide
InChI key:RGZXAQQHXALOBL-UHFFFAOYSA-N

分子式:C28H30N6O4
分子量:514.586
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:3.9055257
SMILES:COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1
SMILES:COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1

EGFR-IN-1, an orally active and irreversible selective inhibitor targeting L858R/T790M mutant EGFR, exhibits strong antiproliferative and antitumor activity, particularly against H1975 cells and first line mutant HCC827 cells. This compound potently inhibits Gefitinib-resistant EGFR L858R/T790M mutations with a 100-fold selectivity over the wild-type EGFR.

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