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AZD3229

CAT: 0926-YPD00360-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YPD00360-03Size:50 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
Smiles
CC (C) C1=CN (N=N1) CC (=O) NC2=CC=C (C=C2) NC3=NC=NC4=C3C (=CC (=C4) OCCOC) F
Molecular Formula
C24H26FN7O3
Molecular Weight
479.51 g/mol
Controlled
No

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
Loading 3D structure...
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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