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Description:PotentandselectiveS1P1receptorantagoNIST
ChemicalName:1-[[[5'-[[1-(4-Chloro-3-methylphenyl)ethyl]amino]-2'-fluoro-3,5-dimethyl[1,1'-biphenyl]-4-yl]carbonyl]amino]-cyclopropanecarboxylicacid
Purity:≥98%(HPLC)
BIOLOGicalActivityTechnicalDataSolubilityCalculatorsDatasheetsReferences
BiologicalActivity
PotentandselectiveS1P1receptorantagonist(IC50=0.93nM).Exhibits>3,000-foldselectivityforS1P1overS1P2,S1P3,S1P4andS1P5.InduceslymphocytesequestrationinperipherallymphnodesandupregulatesS1P1receptorexpression.ReducesdiseaseseverityinmicewithEAE.IncreasesIFN-αproductioninstimulateddendriticcellsinvivo.
CompoundLibraries
Ex26isalsoofferedaspartoftheTocriscreenPlus.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 494.98 |
| Formula | C28H28ClFN2O3 |
| Storage | Storeat+4°C |
| Purity | ≥98%(HPLC) |
| CASNumber | 1233332-37-0 |
| PubChemID | 59393740 |
| InChIKey | YVHNBORUVLWCKF-UHFFFAOYSA-N |
| Smiles | CC(C1=CC(C)=C(C=C1)Cl)NC2=CC=C(C(C3=CC(C)=C(C(C)=C3)C(NC4(C(O)=O)CC4)=O)=C2)F |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 49.5 | 100 | |
| ethanol | 49.5 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight494.98.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 2.02mL | 10.1mL | 20.2mL |
| 5mM | 0.4mL | 2.02mL | 4.04mL |
| 10mM | 0.2mL | 1.01mL | 2.02mL |
| 50mM | 0.04mL | 0.2mL | 0.4mL |
MolarityCalculator
MolarityCalculator
Calculatethemass,volume,orconcentrationrequiredforasolution.
ReconstitutionCalculator
ReconstitutionCalculator
DilutionCalculator
DilutionCalculator
Calculatethedilutionrequiredtoprepareastocksolution.
ProductDatasheets
CertificateofAnalysis/ProductDatasheet
SafetyDatasheet

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