PotentPARPinhibitor(IC50valuesare2,5and200nMforPARP2,PARP1andPARP3,respectively).ExhibitsanticancereffectsinBRCA1mutant,butnotwild-typebreastcancercelllinesinvitro.Inhibitsgrowthofolaparib-resistantmammarytumorsinamousemodelandisapoorsubstratefortheP-gptransporter.Orallybioavailable.
M.Wt | 395.43 |
Formula | C22H22FN3O3 |
Storage | Storeat-20°C |
Purity | ≥98%(HPLC) |
CASNumber | 1174043-16-3 |
PubChemID | 44199317 |
InChIKey | HYNBNUYQTQIHJK-UHFFFAOYSA-N |
Smiles | COC1CCN(C(C2=C(C=CC(CC3=NNC(C4=CC=CC=C34)=O)=C2)F)=O)CC1 |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
Solvent | MaxConc.mg/mL | MaxConc.mM | |
---|---|---|---|
Solubility | |||
DMSO | 39.54 | 100 | |
ethanol | 39.54 | 100 |
Thefollowingdataisbasedontheproductmolecularweight395.43.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
---|---|---|---|
1mM | 2.53mL | 12.64mL | 25.29mL |
5mM | 0.51mL | 2.53mL | 5.06mL |
10mM | 0.25mL | 1.26mL | 2.53mL |
50mM | 0.05mL | 0.25mL | 0.51mL |
Thereconstitutioncalculatorallowsyoutoquicklycalculatethevolumeofareagenttoreconstituteyourvial.Simplyenterthemassofreagentandthetargetconcentrationandthecalculatorwilldeterminetherest.