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Chemical structure of (3S,4S)-PF-06459988

GC62165

(3S,4S)-PF-06459988

Also known as 1-[(3S,4S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one

(3S, 4S)-PF-06459988 is the S enantiomer of PF-06459988 with less active· PF-06459988 is a potent irreversible inhibitor of T790M mutant epidermal growth factor receptor (EGFR)· PF-06459988 has excellent selectivity against EGFR wild-type while possessing a minimally reactive electrophile that reduces the propensity of off-target labeling

ChemicalCAS1858291-14-1MW431.88FormulaC19H22ClN7O3
CAS number
1858291-14-1
Molecular weight
431.88
Formula
C19H22ClN7O3
InChIKey
ODMXWZROLKITMS-SMDDNHRTSA-N
Catalogue number
GC62165
Brand
GLPBIO
Computed properties PubChem CID 127030086 · XLogP 1.8 · TPSA 110 Ų · H-bond donors 2
XLogP
1.8
TPSA
110 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

SMILES CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC[C@@H]4CN(C[C@H]4OC)C(=O)C=C

Computed descriptors from PubChem (CID 127030086), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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