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Chemical structure of ARRY-380

GC12478

ARRY-380

Also known as 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

ARRY-380, an inhibitor of EGFR (ErbB1), is extracted from patent WO2015153959A2, compound 249· ARRY-380 is a potent, selective, ATP-competitive, orally active inhibitor of HER2

ChemicalCAS937265-83-3MW569.63FormulaC29H27N7O4S
CAS number
937265-83-3
Molecular weight
569.63
Formula
C29H27N7O4S
Solubility
≥ 28·5mg/mL in DMSO
InChIKey
QVMNYGOVNWWFKF-UHFFFAOYSA-N
Catalogue number
GC12478
Brand
GLPBIO
Computed properties PubChem CID 42598643 · XLogP 3.6 · TPSA 145 Ų · H-bond donors 2
XLogP
3.6
TPSA
145 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
41

SMILES CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CNCCS(=O)(=O)C)OC5=CC6=NC=NN6C=C5

Computed descriptors from PubChem (CID 42598643), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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