VE-821 , ≥98% , 1232410-49-9

Synonym(s):
3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide;3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide;VE821

CAS NO.：1232410-49-9

Empirical Formula: C18H16N4O3S

Molecular Weight: 368.41

MDL number: MFCD19443686

PRODUCT Properties

• Melting point: 247-249°C
• Boiling point: 568.4±50.0 °C(Predicted)
• Density: 1.394
• storage temp.: -20°C
• solubility: Soluble in DMSO (40 mg/ml)
• form: powder
• pka: 9.97±0.70(Predicted)
• color: white to beige
• Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
• 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
• SMILES: CS(C(C=C1)=CC=C1C2=NC(C(NC3=CC=CC=C3)=O)=C(N)N=C2)(=O)=O

Description and Uses

Ataxia-telangiectasia and Rad3-related protein (ATR) is a serine/threonine kinase that activates DNA processes related to the DNA damage response. VE-821 is an ATP-competitive inhibitor of ATR (IC₅₀ = 26 nM). It augments DNA damage and cell death of cancer cells in response to radiation under normal and hypoxic conditions. VE-821 also sensitizes cancer cells to chemotherapy.

VE-821 has been used as an inhibitor of ATM- and Rad3-related (ATR) protein in human cancer cells.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids