BiologicalActivity
HighaffinityandselectiveSmoothened(Smo)receptorantagonist(Ki=4.6nM).Exhibits>1000-foldselectivityforSmooverapanelofotherreceptors,ionchannelsandenzymes.InhibitsShh-inducedHedgehogsignalinginMEFcells.Inducestumorregressioninamedulloblastomaallograftmousemodel.Orallyavailableandbrainpenetrant.
LicensingInformation
SoldforresearchpurposesunderagreementfromPfizerInc.
CompoundLibraries
PF5274857hydrochlorideisalsoofferedaspartoftheTocriscreenPlus.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 473.42 |
| Formula | C20H25ClN4O3S.HCl |
| Storage | DesiccateatRT |
| Purity | ≥98%(HPLC) |
| CASNumber | 1613439-62-5 |
| PubChemID | 90489027 |
| InChIKey | GULNFUQAVPTTQV-UHFFFAOYSA-N |
| Smiles | CC1=CN=C(C2=CC(N3CCN(C(CCS(C)(=O)=O)=O)CC3)=NC=C2Cl)C(C)=C1.Cl |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 47.34 | 100 | |
| water | 47.34 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight473.42.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 2.11mL | 10.56mL | 21.12mL |
| 5mM | 0.42mL | 2.11mL | 4.22mL |
| 10mM | 0.21mL | 1.06mL | 2.11mL |
| 50mM | 0.04mL | 0.21mL | 0.42mL |
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