BIOLOGicalActivityTechnicalDataSolubilityCalculatorsDatasheetsReferences
BiologicalActivity
PotentandselectiveV1Breceptorantagonist(IC50=2.22nMforratpituitaryreceptor).Exhibitsnosignificantaffinityfor85otherreceptors,ionchannelsandtransportersat10μM,includingV1AandV2.IncreasesACTHlevelsinrats.Orallybioavailable.Antidepressantandanxiolytic.
TechnicalData
M.Wt | 554.44 |
Formula | C25H29ClFN5O4.HCl |
Storage | Storeat-20°C |
Purity | ≥98%(HPLC) |
CASNumber | 1642187-96-9 |
PubChemID | 86765292 |
InChIKey | NUIXGNLBPARAII-UHFFFAOYSA-N |
Smiles | O=C(NC(C)C)CN1C(C2=CC(OCCCN3CCOCC3)=CN=C2N=C1C4=CC=C(F)C(Cl)=C4)=O.Cl |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM |
---|
Solubility |
---|
water | 55.44 | 100 |
DMSO | 55.44 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight554.44.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
---|
1mM | 1.8mL | 9.02mL | 18.04mL |
5mM | 0.36mL | 1.8mL | 3.61mL |
10mM | 0.18mL | 0.9mL | 1.8mL |
50mM | 0.04mL | 0.18mL | 0.36mL |