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AZD3229

CAT: 0127-BUP08985-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08985-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2248003-60-1
Purity
=98%
Smiles
COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1

Chemical Information

Ubavitinib

Ubavitinib is 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 Number2248003-60-1
PubChem CID134814269
IUPAC NameN-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
Molecular FormulaC24H26FN7O3
Molecular Weight479.5
XLogP3.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity667
SMILES
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/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/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29)
InChIKey
FLJOFQUXYAWOPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ubavitinib
CAS: 2248003-60-1
CID: 134814269
Formula: C24H26FN7O3
MW: 479.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass479.20811588
Monoisotopic Mass479.20811588
Topological Polar Surface Area116 Ų
Heavy Atom Count35
Formal Charge0
Complexity667
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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