MedKooCat#:406258
Name:VE-822(VX-970)
CAS#:1232416-25-9
ChemicalFormula:C24H25N5O3S
ExactMass:463.16781
MolecularWeight:463.55
ElementalAnalysis:C,62.18;H,5.44;N,15.11;O,10.35;S,6.92
Synonym:VE822;VE-822;VE822;VX970;VX-970;VX970;Berzosertib
IUPAC/ChemicalName:5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.
InChiKey:JZCWLJDSIRUGIN-UHFFFAOYSA-N
InChiCode: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)
SMILESCode:NC1=NC=C(C2=CC=C(S(=O)(C(C)C)=O)C=C2)N=C1C3=CC(C4=CC=C(CNC)C=C4)=NO3
TechnicalData
ViewCoA:previousbatch,lot#SSC40215
ViewCoA:currentbatch,Lot#S7S05C02
ViewQCdata:previousbatch,lot#SSC40215
ViewQCdata:currentbatch,Lot#S7S05C02
AdditionalInformation
References
1:FokasE,PrevoR,PollardJR,ReaperPM,CharltonPA,CornelissenB,VallisKA,HammondEM,OlcinaMM,GilliesMcKennaW,MuschelRJ,BrunnerTB.TargetingATRinvivousingthenovelinhibitorVE-822resultsinselectivesensitizationofpancreatictumorstoradiation.CellDeathDis.2012Dec6;3:e441.doi:10.1038/cddis.2012.181.PubMedPMID:23222511;PubMedCentralPMCID:PMC3542617.