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Voxtalisib

CAT: 1410-M16680-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M16680-07Size:100 mg
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Description
A potent, highly selective ATP-competitive inhibitor of class I PI3Ks.
CAS Number
934493-76-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
270.2899
Molecular Formula
C13H14N6O
Notes
Research use only, not for human use.
Receptor
DNA-PK|PI3Kα|PI3Kβ|PI3Kγ|PI3Kδ

Chemical Information

Voxtalisib

2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone is a pyrazolopyridine.

CAS Number934493-76-2
PubChem CID16123056
IUPAC Name2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC13H14N6O
Molecular Weight270.29
XLogP0.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity425
SMILES
CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N
InChI
InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKey
RGHYDLZMTYDBDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Voxtalisib
CAS: 934493-76-2
CID: 16123056
Formula: C13H14N6O
MW: 270.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.29
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass270.12290909
Monoisotopic Mass270.12290909
Topological Polar Surface Area101 Ų
Heavy Atom Count20
Formal Charge0
Complexity425
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