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Chemical structure of Desmorpholinyl Quizartinib-PEG2-COOH

GC60760

Desmorpholinyl Quizartinib-PEG2-COOH

Also known as 3-[2-[2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]propanoic acid

Desmorpholinyl Quizartinib-PEG2-COOH incorporates a ligand for FLT-3, and a PEG-based PROTAC linker· Desmorpholinyl Quizartinib-PEG2-COOH can be used in the synthesis of PROTAC FLT-3 degrader 1· PROTAC FLT-3 degrader 1 is a PROTAC FLT-3 internal tandem duplication (ITD) degrader with an IC50 0·6 nM

ChemicalCAS2292116-14-2MW607.68FormulaC30H33N5O7S
CAS number
2292116-14-2
Molecular weight
607.68
Formula
C30H33N5O7S
InChIKey
BMRGZWDBDUKFLR-UHFFFAOYSA-N
Catalogue number
GC60760
Brand
GLPBIO
Computed properties PubChem CID 154729642 · XLogP 5.2 · TPSA 178 Ų · H-bond donors 3
XLogP
5.2
TPSA
178 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
43

SMILES CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCOCCOCCC(=O)O)SC4=N3

Computed descriptors from PubChem (CID 154729642), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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