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AZD3229 Tosylate 2mg

CAT: 0628-A16867-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A16867-2Size:2 mg
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CAS Number
2248003-71-4

Chemical Information

AZD3229 Tosylate

Ubavitinib Tosylate is the tosylate salt form of NB003, an orally bioavailable inhibitor of specific mutated forms of platelet-derived growth factor receptor alpha (PDGFR alpha; PDGFRa) and mast/stem cell factor receptor c-Kit (SCFR; CD117), with potential antineoplastic activity. Upon oral administration, ubavitinib specifically targets, binds to and inhibits specific mutant forms of PDGFRa and c-Kit. This results in the inhibition of PDGFRa- and c-Kit-mediated signal transduction pathways and the inhibition of proliferation in tumor cells that express these PDGFRa and c-Kit mutants. PDGFRa and c-Kit, protein tyrosine kinases, are upregulated or mutated in various tumor cell types; they play key roles in the regulation of cellular proliferation and resistance to chemotherapy.

CAS Number2248003-71-4
PubChem CID135367697
IUPAC NameN-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide;4-methylbenzenesulfonic acid
Molecular FormulaC31H34FN7O6S
Molecular Weight651.7
Topological Polar Surface Area179
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity873
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=CN(N=N1)CC(=O)NC2=CC=C(C=C2)NC3=NC=NC4=C3C(=CC(=C4)OCCOC)F
InChI
InChI=1S/C24H26FN7O3.C7H8O3S/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29);2-5H,1H3,(H,8,9,10)
InChIKey
AWHHAHZPRULJMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AZD3229 Tosylate
CAS: 2248003-71-4
CID: 135367697
Formula: C31H34FN7O6S
MW: 651.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass651.22753117
Monoisotopic Mass651.22753117
Topological Polar Surface Area179 Ų
Heavy Atom Count46
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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