SML1415
VE-821
≥98% (HPLC), ATP-competitive ATR inhibitor, powder
Synonym(s):
3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide, 3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide, VE821
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About This Item
Empirical Formula (Hill Notation):
C18H16N4O3S
CAS Number:
Molecular Weight:
368.41
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Product Name
VE-821, ≥98% (HPLC)
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: ≥10 mg/mL, clear
storage temp.
−20°C
SMILES string
CS(C(C=C1)=CC=C1C2=NC(C(NC3=CC=CC=C3)=O)=C(N)N=C2)(=O)=O
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)
InChI key
DUIHHZKTCSNTGM-UHFFFAOYSA-N
Application
VE-821 has been used as an inhibitor of ATM- and Rad3-related (ATR) protein in human cancer cells.
Biochem/physiol Actions
VE-821 is a ATP-competitive inhibitor of ATR.
VE-821 is a potent ATP-competitive inhibitor of the DNA damage response (DDR) kinase Ataxia telangiectasia-mutated (ATM) and ATM- and Rad3-related (ATR) with a Ki of 13 nM. VE-821 has minimal cross-reactivity against the related PIKKs ATM, DNA-dependent protein kinase (DNA-PK), mTOR and PI3-kinase-γ (Ki of 16 μM, 2.2 μM, >1 μM and 3.9 μM, respectively) and against a large panel of unrelated protein kinases. VE-821 used alone caused death in a large fraction of cancer cell populations and also showed strong synergy with genotoxic agents. VE-821 increased sensitivity of cells to radiation and also sensitized cancer cells to a variety of chemotherapeutic agents.
Other Notes
VE-821 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the VE-821 probe summary on the Chemical Probes Portal website.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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