Quizartinib

CAT: 0862-GW2178-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0862-GW2178-5mgSize:5 mg

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CAS Number

950769-58-1

Storage Conditions

+4°C

Hazardous Class

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Chemical Information

Quizartinib

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.

CAS Number	950769-58-1
PubChem CID	24889392
IUPAC Name	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 Formula	C29H32N6O4S
Molecular Weight	560.7
XLogP	5.6
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	40
Formal Charge	0
Complexity	849

SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3

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

Chemical Structure

2D Structure

CAS: 950769-58-1

CID: 24889392

Formula: C29H32N6O4S

MW: 560.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	560.7
XLogP3	5.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	560.22057470
Monoisotopic Mass	560.22057470
Topological Polar Surface Area	134 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	849
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
2008-1	Quizartinib
HY-14217-01	Quizartinib (dihydrochloride)
RM-Q221500-01	Quizartinib Dihydrochloride
C07869-01	Quizartinib (AC220)
200072	Quizartinib HCl

Quizartinib

Chemical Information

Alternative Products

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