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M  END
> <ID>
CHEBI:90217

> <NAME>
quizartinib

> <DEFINITION>
A member of the class of phenylureas that is urea in which one of the amino groups has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group while the other has been substituted by a phenyl group substituted at the para- position by an imidazo[2,1-b][1,3]benzothiazol-2-yl group that, in turn, is substituted at position 7 by a 2-(morpholin-4-yl)ethoxy group.

> <STAR>
3

> <SYNONYM>
N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2-yl)phenyl)urea; AC220; AC010220; AC 220; AC 010220

> <IUPAC_NAME>
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea

> <INN>
quizartinibum; quizartinib; quizartinib; quizartinib

> <BRAND_NAME>
Vanflyta

> <FORMULA>
C29H32N6O4S

> <MASS>
560.669

> <MONOISOTOPIC_MASS>
560.22057

> <CHARGE>
0

> <SMILES>
S1C2=C(N3C1=NC(=C3)C4=CC=C(NC(=O)NC5=NOC(C(C)(C)C)=C5)C=C4)C=CC(OCCN6CCOCC6)=C2

> <INCHI>
InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)

> <INCHIKEY>
CVWXJKQAOSCOAB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
950769-58-1

> <REAXYS_REGISTRY_NUMBER>
12981016

> <CHEMIDPLUS>
950769-58-1

> <KEGG_DRUG_ACCESSION>
D09955

> <LINCS_ACCESSION>
LSM-1037

> <PDBECHEM_ACCESSION>
P30

> <WIKIPEDIA_ACCESSION>
Quizartinib

> <PUBMED_CITATION>
19654408; 22875611; 23412931; 23497317; 23967177; 24070241; 24518522; 24883179; 25145428; 25775444; 25837374; 25847190; 29212189; 30997851; 31114157; 32772726; 33415416; 34490088; 35680789; 36473282; 37116523; 37145493; 37245251; 37253972; 37698367; 37715270; 37741898; 37871118; 37935978; 37945814; 38051808; 38231480; 38284515

$$$$