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Description:Potentnon-peptideoxytocinreceptorpartialagoNIST;alsoV1areceptorantagonist
ChemicalName:(2S)-N-[[4-[(4,10-Dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide
Purity:≥97%(HPLC)
BIOLOGicalActivityTechnicalDataSolubilityCalculatorsDatasheetsReferences
BiologicalActivity
Potentnon-peptideoxytocinreceptorpartialagonist(EC50valuesare33nMand850nMfortheoxytocinreceptorandV2vasopressinreceptorrespectively).AlsoaV1avasopressinreceptorantagonist(Ki=330nM).Activeinvivoinaratmodelofuterineresponse.
CompoundLibraries
TCOT39isalsoofferedaspartoftheTocriscreenPlus.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 600.78 |
| Formula | C32H40N8O2S |
| Storage | Storeat-20°C |
| Purity | ≥97%(HPLC) |
| CASNumber | 479232-57-0 |
| PubChemID | 24776341 |
| InChIKey | PAEBEUZTAPIOIO-UHFFFAOYSA-N |
| Smiles | O=C(N5[C@H]([C@](N6CCN(C)CCC6)=S)CCC5)NCC(C(C)=C2)=CC=C2C(N1C(C=CC=C3)=C3NC(N(C)N=C4)=C4C1)=O |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solubility | Solubleto100mMin1eq.HClandto100mMinDMSO |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight600.78.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 1.66mL | 8.32mL | 16.65mL |
| 5mM | 0.33mL | 1.66mL | 3.33mL |
| 10mM | 0.17mL | 0.83mL | 1.66mL |
| 50mM | 0.03mL | 0.17mL | 0.33mL |
MolarityCalculator
MolarityCalculator
Calculatethemass,volume,orconcentrationrequiredforasolution.
ReconstitutionCalculator
ReconstitutionCalculator
DilutionCalculator
DilutionCalculator
Calculatethedilutionrequiredtoprepareastocksolution.
ProductDatasheets
CertificateofAnalysis/ProductDatasheet
SafetyDatasheet

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