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VE-821

CAT: 0013-GTR19171531-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171531-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VE-821 is a potent and selective ATP-competitive inhibitor of the ATR kinase, with a Ki of 13 nM and an IC50 of 26 nM in biochemical assays. It is widely used in preclinical research to study DNA damage response pathways, demonstrating chemosensitizing effects in various cancer cell lines and in vivo tumor models.
CAS Number
1232410-49-9
Product Name Alternative
ATR, ATR Inhibitor IV, ATM/ATR, ATM and RAD3 related, ATM, Ataxia telangiectasia mutated, inhibit, Inhibitor, VE 821, VE821, VE-821
Field of Research
Molecular Biology, Signal Transduction
Purity
>98%
Bioactivity
ATR inhibitor
Form
Powder
Solubility
Soluble in DMSO (40 mg/ml)
Smiles
CS (=O) (=O) c1ccc (cc1) -c1cnc (N) c (n1) C (=O) Nc1ccccc1
Molecular Formula
C18H16N4O3S
Molecular Weight
368.4
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
3-Amino-6-[4- (methlsulfonyl) phenyl) -N-phenyl-2-pyrazinecarboxamide

Chemical Information

VE-821

3-amino-6-(4-methylsulfonylphenyl)-N-phenyl-2-pyrazinecarboxamide is an aromatic amide.

CAS Number1232410-49-9
PubChem CID51000408
IUPAC Name3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
Molecular FormulaC18H16N4O3S
Molecular Weight368.4
XLogP2.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity578
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N
InChI
InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKey
DUIHHZKTCSNTGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VE-821
CAS: 1232410-49-9
CID: 51000408
Formula: C18H16N4O3S
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass368.09431156
Monoisotopic Mass368.09431156
Topological Polar Surface Area123 Ų
Heavy Atom Count26
Formal Charge0
Complexity578
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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CatalogName
HY-14731-01VE-821
BV168070-01VE 821

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