Name: (3S,4S)-PF-06459988
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322853
Cas No:1858291-14-1
常用名:(3S,4S)-PF-06459988
IUPAC:1-[(3S,4S)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
IUPAC:1-[(3S,4S)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
InChI key:ODMXWZROLKITMS-SMDDNHRTSA-N

分子式:C19H22ClN7O3
分子量:431.88
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H]1CN(C[C@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C
SMILES:CO[C@@H]1CN(C[C@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C

(3S, 4S)-PF-06459988 is the less active S enantiomer of PF-06459988, which is a potent irreversible inhibitor of T790M mutant epidermal growth factor receptor (EGFR). PF-06459988 exhibits excellent selectivity against EGFR wild-type due to its minimally reactive electrophile, which reduces the likelihood of off-target labeling.

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