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Description:EstrogenreceptorantagoNIST
ChemicalName:7α,17β-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol
Purity:≥99%(HPLC)
BIOLOGicalActivityTechnicalDataSolubilityCalculatorsDatasheetsReferences
BiologicalActivity
Ahighaffinityestrogenreceptorantagonist(IC50=0.29nM),devoidofanypartialagonismbothinvitroandinvivo.AlsohighaffinityagonistatthemembraneestrogenreceptorGPER.
LicensingInformation
SoldwiththepermissionofAstraZenecaUKLtd.
CompoundLibraries
ICI182,780isalsoofferedaspartoftheTocriscreenPlusandTocriscreenLibraryofFDA-ApprovedCompounds.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 606.77 |
| Formula | C32H47F5O3S |
| Storage | StoreatRT |
| Purity | ≥99%(HPLC) |
| CASNumber | 129453-61-8 |
| PubChemID | 17756771 |
| InChIKey | VWUXBMIQPBEWFH-LQKBAPIOSA-N |
| Smiles | OC1=CC=C2C(C[C@@H](CCCCCCCCCS(CCCC(F)(C(F)(F)F)F)=O)C3([H])[C@@]([H])2CC[C@@]4(C)[C@@](CC[C@@H]4O)3[H])=C1 |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 60.68 | 100 | |
| ethanol | 30.34 | 50 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight606.77.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 1.65mL | 8.24mL | 16.48mL |
| 5mM | 0.33mL | 1.65mL | 3.3mL |
| 10mM | 0.16mL | 0.82mL | 1.65mL |
| 50mM | 0.03mL | 0.16mL | 0.33mL |
MolarityCalculator
MolarityCalculator
Calculatethemass,volume,orconcentrationrequiredforasolution.
ReconstitutionCalculator
ReconstitutionCalculator
DilutionCalculator
DilutionCalculator
Calculatethedilutionrequiredtoprepareastocksolution.
ProductDatasheets
CertificateofAnalysis/ProductDatasheet
SafetyDatasheet

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