BiologicalActivity
PotentC5areceptor(C5aR)competitiveantagonist(IC50=11.6nM);selectiveforhumanC5aR(IC50valuesforratandmouseC5aRare>10μM).Exhibitsinverseagonistpharmacokinetics.BlocksdegranulationresponseinC5a-stimulatedU937cells(IC50=7.1nM).Orallybioavailable.
CompoundLibraries
NDT9513727isalsoofferedaspartoftheTocriscreenPlus.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 573.68 |
| Formula | C36H35N3O4 |
| Storage | Storeat+4°C |
| Purity | ≥98%(HPLC) |
| CASNumber | 439571-48-9 |
| PubChemID | 10210160 |
| InChIKey | ITACCRHKSPSKKL-UHFFFAOYSA-N |
| Smiles | CCCCN1C(C6=CC=CC=C6)=NC(C7=CC=CC=C7)=C1CN(CC3=CC(OCO5)=C5C=C3)CC2=CC=C(OCO4)C4=C2 |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 57.37 | 100 | |
| ethanol | 57.37 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight573.68.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 1.74mL | 8.72mL | 17.43mL |
| 5mM | 0.35mL | 1.74mL | 3.49mL |
| 10mM | 0.17mL | 0.87mL | 1.74mL |
| 50mM | 0.03mL | 0.17mL | 0.35mL |
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