MedKoo Cat#: 406258
Name: VE-822 (VX-970)
CAS#: 1232416-25-9
Chemical Formula: C24H25N5O3S
Exact Mass: 463.16781
Molecular Weight: 463.55
Elemental Analysis: C, 62.18; H, 5.44; N, 15.11; O, 10.35; S, 6.92
Synonym: VE822; VE-822; VE 822; VX970; VX-970; VX 970; Berzosertib
IUPAC/Chemical Name: 5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.
InChi Key: JZCWLJDSIRUGIN-UHFFFAOYSA-N
InChi Code: InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
SMILES Code: NC1=NC=C(C2=CC=C(S(=O)(C(C)C)=O)C=C2)N=C1C3=CC(C4=CC=C(CNC)C=C4)=NO3
Technical Data
View CoA: previous batch, lot#SSC40215
View CoA: current batch, Lot#S7S05C02
View QC data: previous batch, lot#SSC40215
View QC data: current batch, Lot#S7S05C02
Additional Information
References
1: Fokas E, Prevo R, Pollard JR, Reaper PM, Charlton PA, Cornelissen B, Vallis KA, Hammond EM, Olcina MM, Gillies McKenna W, Muschel RJ, Brunner TB. Targeting ATR in vivo using the novel inhibitor VE-822 results in selective sensitization of pancreatic tumors to radiation. Cell Death Dis. 2012 Dec 6;3:e441. doi: 10.1038/cddis.2012.181. PubMed PMID: 23222511; PubMed Central PMCID: PMC3542617.