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Chemical structure of DBPR112

GC62569

DBPR112

Also known as (E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

DBPR112 is an orally active furanopyrimidine-based EGFR inhibitor with IC50s of 15 nM and 48 nM for EGFRWT and EGFRL858R/T790M, respectively· DBPR112 can occupy the ATP-binding site· DBPR112 has significant antitumor efficacy

ChemicalCAS1226549-49-0MW533.62FormulaC32H31N5O3
CAS number
1226549-49-0
Molecular weight
533.62
Formula
C32H31N5O3
Solubility
DMSO ： 250 mg/mL (468·50 mM; Need ultrasonic)
InChIKey
NQAMTZUVRFRJCZ-VMMYIZNOSA-N
Catalogue number
GC62569
Brand
GLPBIO
Computed properties PubChem CID 46212971 · XLogP 4.9 · TPSA 104 Ų · H-bond donors 3
XLogP
4.9
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
40

SMILES CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)N[C@H](CO)C4=CC=CC=C4)C5=CC=CC=C5

Computed descriptors from PubChem (CID 46212971), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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