BiologicalActivity
PotentandselectiveG9aandGLPhistonelysinemethyltransferaseinhibitor(IC50<2.5nM).Exhibits>2,000-foldselectivityforG9aandGLPoverPRC2-EZH2and>20,000-foldselectivityoverothermethyltransferases.ReducesH3K9dimethylationlevelsinMDA-MB-231cells(IC50=110nM).Displaysmodestbrainpenetrationinvivo.
LicensingInformation
ThisprobeissuppliedinconjunctionwiththeStructuralGenomicsConsortium.Forfurthercharacterizationdetails,pleasevisittheUNC0642probesummaryontheSGCwebsite.
ExternalPortalInformation
Chemicalprobes.orgisaportalthatoffersindependentguidanceontheselectionand/orapplicationofsmallmoleculesforresearch.TheuseofUNC0642isreviewedonthechemicalprobeswebsite.
CompoundLibraries
UNC0642isalsoofferedaspartoftheTocriscreenPlusandTocriscreenEpigeneticsToolbox.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 546.7 |
| Formula | C29H44F2N6O2 |
| Storage | Storeat+4°C |
| Purity | ≥99%(HPLC) |
| CASNumber | 1481677-78-4 |
| PubChemID | 53315878 |
| InChIKey | RNAMYOYQYRYFQY-UHFFFAOYSA-N |
| Smiles | CC(C)N(CC4)CCC4NC1=C2C(C=C(OCCCN3CCCC3)C(OC)=C2)=NC(N5CCC(F)(F)CC5)=N1 |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| 1eq.HCl | 27.34 | 50 | |
| DMSO | 54.67 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight546.7.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 1.83mL | 9.15mL | 18.29mL |
| 5mM | 0.37mL | 1.83mL | 3.66mL |
| 10mM | 0.18mL | 0.91mL | 1.83mL |
| 50mM | 0.04mL | 0.18mL | 0.37mL |
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ProductDatasheets
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