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Purity: =99.05%
VE-821 is a novel potent and highly selective ATP competitive protein kinase inhibitor of ATR (ataxia telangiectasia mutated and Rad3 related) with Ki and IC50 of 13 nM and 26 nM in cell-free assays, it shows inhibition of H2AX phosphorylation, and had minimal activity against PIKKs ATM, DNA-PK, mTOR and PI3Kγ. VE-821 confirmed that ATR signaling was inhibited by preventing Chk1 from being phosphorylated in response to radiation and gemcitabine. Under both normoxic and hypoxic conditions, VE-821 consistently increased the susceptibility of PSN-1, MiaPaCa-2, and primary PancM pancreatic cancer cells to radiation and gemcitabine.
| Targets |
ATR ( Ki = 13 nM ); ATM ( Ki = 16 μM ); DNA-PK ( Ki = 2.2 μM ); PI3Kγ ( Ki = 3.9 μM )
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| ln Vivo |
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| Enzyme Assay |
Radiometric-phosphate incorporation assay is used to determine a compound's ability (e.g., VE-821) to inhibit ATR, ATM, or DNAPK kinase activity. After the proper buffer, kinase, and target peptide are combined, a stock solution is created. To achieve a final DMSO concentration of 7%, the compound of interest is added to this at different DMSO concentrations. When the proper [g-33P]ATP solution is added, the assay is started and incubated at 25°C. The assays are terminated by adding phosphoric acid and ATP to a final concentration of 100 mM and 0.66 μM, respectively, following the desired time course. Peptides are prepared on a phosphocellulose membrane, captured, and then six times washed with 200 μL of 100 mM phosphoric acid. Next, 100 μL of scintillation cocktail is added, and the sample is counted using a 1450 Microbeta Liquid Scintillation Counter. GraphPad Prism software is used to analyze dose-response data[2].
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| Cell Assay |
Plated in 96-well plates, MiaPaCa-2, PSN-1, and Panc1 cells (5×104) are treated with increasing concentrations of VE-821 after 4 hours, and 1 hour before they are exposed to a single 4 Gy dose of radiation. After the medium is changed 72 hours after the radiation, the Alamar Blue assay is used to determine viability. After allowing the cells to multiply, the viability of the cells is examined once more on day 10 for each of the various treatment scenarios. Normalization of cell viability and survival fraction to the untreated (control) group is achieved [3].
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| Animal Protocol |
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| References |
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| Molecular Formula |
C18H16N4O3S
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| Molecular Weight |
368.41
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| Exact Mass |
368.09
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| Elemental Analysis |
C, 58.68; H, 4.38; N, 15.21; O, 13.03; S, 8.70
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| CAS # |
1232410-49-9
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| Related CAS # |
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| Appearance |
White to beige solid powder
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| SMILES |
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N
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| InChi Key |
DUIHHZKTCSNTGM-UHFFFAOYSA-N
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| InChi Code |
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)
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| Chemical Name |
3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
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| Synonyms |
VE-821; VE 821; VE821
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7144 mL | 13.5718 mL | 27.1437 mL | |
| 5 mM | 0.5429 mL | 2.7144 mL | 5.4287 mL | |
| 10 mM | 0.2714 mL | 1.3572 mL | 2.7144 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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 VE-821 perturbs the irradiation-induced cell cycle checkpoint in pancreatic cancer cells.Cancer Biol Ther.2012 Sep;13(11):1072-81. |
 VE-821 radiosensitizes pancreatic tumor cells under hypoxic conditions.Cancer Biol Ther.2012 Sep;13(11):1072-81. |
VE-821 radiosensitizes pancreatic tumor cells.Cancer Biol Ther.2012 Sep;13(11):1072-81. |
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 VE-821 sensitizes pancreatic cancer cells to gemcitabine treatment.Cancer Biol Ther.2012 Sep;13(11):1072-81. |
 VE-821 increases 53BP1 and γH2AX foci number and reduces Rad51 foci formation.Cancer Biol Ther.2012 Sep;13(11):1072-81. |
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