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Chemical structure of DZD1516

GC73544

DZD1516

Also known as 5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

DZD1516 is a potent and selective HER2 inhibitor (IC50=0·56 nM) with good blood-brain permeability

ChemicalCAS2387570-00-3MW547.56FormulaC28H27F2N7O3
CAS number
2387570-00-3
Molecular weight
547.56
Formula
C28H27F2N7O3
Solubility
DMSO ： 100 mg/mL (182·63 mM; Need ultrasonic)
InChIKey
IDQNCHCNBVCUHC-DEOSSOPVSA-N
Catalogue number
GC73544
Brand
GLPBIO
Computed properties PubChem CID 146241657 · XLogP 5 · TPSA 98.9 Ų · H-bond donors 1
XLogP
5
TPSA
98.9 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
40

SMILES CC1=C(C=CC(=C1)NC2=NC=NC3=C2C(=CC(=C3)OC)O[C@H]4CCN(CC4(F)F)C)OC5=CC6=NC=NN6C=C5

Computed descriptors from PubChem (CID 146241657), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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