Name: EGFR ligand-2
Rating: 5 (10 reviews)

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HIT ID:HIT218847964
Cas No:2737283-20-2
常用名:EGFR ligand-2
IUPAC:1-[(3S)-3-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-8-(phenylamino)-9H-purin-9-yl)piperidin-1-yl]prop-2-en-1-one
IUPAC:1-[(3S)-3-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-8-(phenylamino)-9H-purin-9-yl)piperidin-1-yl]prop-2-en-1-one
InChI key:WPMXUVGZCGGVSI-VWLOTQADSA-N

分子式:C30H35N9O
分子量:537.672
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@H]4CCCN(C4)C(=O)C=C)c3n2)cc1
SMILES:CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@H]4CCCN(C4)C(=O)C=C)c3n2)cc1

EGFR ligand-2 (compound C4) is a covalent EGFR ligand and mutant inhibitor with IC50 values of 21 nM for EGFR L858R and 48 nM for EGFR L858R/T790M. It can be utilized in the synthesis of PROTAC [1].

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