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Quizartinib (AC220)

CAT: 1568-C07869-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C07869-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
950769-58-1
SKU
C07869-50mg
Target
FLT3
Applications
Protein Tyrosine Kinase
Smiles
CC (C) (C) C1=CC (=NO1) NC (=O) NC2=CC=C (C=C2) C3=CN4C5=C (C=C (C=C5) OCCN6CCOCC6) SC4=N3
Molecular Formula
C29H32N6O4S
Additionnal Information
Quizartinib (AC220) is a second-generation FLT3 inhibitor for Flt3 (ITD/WT) with IC50 of 1.1 nM/4.2 nM in MV4-11 and RS4;11 cells, respectively, 10-fold more selective for Flt3 than KIT, PDGFRα, PDGFRβ, RET, and CSF-1R. Quizartinib (AC220) induces apoptosis of tumor cells. Phase 3.
Storage Conditions
2 years -80 in solvent

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 Number950769-58-1
PubChem CID24889392
IUPAC Name1-(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 FormulaC29H32N6O4S
Molecular Weight560.7
XLogP5.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity849
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
2D structure of Quizartinib
CAS: 950769-58-1
CID: 24889392
Formula: C29H32N6O4S
MW: 560.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.7
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass560.22057470
Monoisotopic Mass560.22057470
Topological Polar Surface Area134 Ų
Heavy Atom Count40
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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