BIOLOGicalActivityTechnicalDataSolubilityCalculatorsDatasheetsReferences
BiologicalActivity
PotentPARPinhibitor(IC50valuesare2,5and200nMforPARP2,PARP1andPARP3,respectively).ExhibitsanticancereffectsinBRCA1mutant,butnotwild-typebreastcancercelllinesinvitro.Inhibitsgrowthofolaparib-resistantmammarytumorsinamousemodelandisapoorsubstratefortheP-gptransporter.Orallybioavailable.
TechnicalData
| 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.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM |
|---|
| Solubility |
|---|
| DMSO | 39.54 | 100 |
| ethanol | 39.54 | 100 |
PreparingStockSolutions
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 |
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