BiologicalActivity
Constitutiveandrostanereceptor(CAR)agonist(EC50=49nM).Displays>100-foldselectivityoverPXRreceptorsandnoactivityatLXR,ERα,ERβ,PPAR,RAR,FXR,VDRandTHR.InducesCARnucleartranslocationandexpressionofCYP2B6inhepatocytesinvitro.
CompoundLibraries
CITCOisalsoofferedaspartoftheTocriscreenPlus.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 436.74 |
| Formula | C19H12Cl3N3OS |
| Storage | Desiccateat-20°C |
| Purity | ≥98%(HPLC) |
| CASNumber | 338404-52-7 |
| PubChemID | 9600409 |
| InChIKey | ZQWBOKJVVYNKTL-AUEPDCJTSA-N |
| Smiles | ClC(C(Cl)=C4)=CC=C4CO/N=C/C1=C(C3=CC=C(Cl)C=C3)N=C2N1C=CS2 |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 21.84 | 50 | |
| ethanol | 2.18 | 5 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight436.74.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 2.29mL | 11.45mL | 22.9mL |
| 5mM | 0.46mL | 2.29mL | 4.58mL |
| 10mM | 0.23mL | 1.14mL | 2.29mL |
| 50mM | 0.05mL | 0.23mL | 0.46mL |
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