Quizartinib
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
Molecular Identity
Quizartinib
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
PubChem CID: 24889392
Quizartinib is 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. It has a role as a necroptosis inhibitor, an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a member of phenylureas, a member of morpholines, a benzoimidazothiazole and a member of isoxazoles.
2D Structure
Properties
C29H32N6O4S
Molecular Formula
560.70
Molecular Weight
g/mol
560.2206
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
134
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
849
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Quizartinib950769-58-1AC220AC-220AC 220AC010220quizartinibumAC 010220ASP-26897LA4O6Q0D3AC-010220CHEBI:90217DTXSID702417461-(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)ureaN-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2-yl)phenyl)urea
Data from PubChem (NCBI)
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