BiologicalActivity
HighlypotentDOT1Lmethyltransferaseinhibitor(Kd=0.06nM,IC50=0.3nMinarADIoactiveassay);blocksH3K79methylationinA431cellsandMCF10Acells.Inactiveat12histonemethyltransferasesandDNMT1.SelectivelykillscellstransformedwiththeMLL-AF9fusiononcogeneinaninvitromodelofleukemia;lowerslevelsofMLLtargetgenesHOXA9andMeis1.
LicensingInformation
ThisprobeissuppliedinconjunctionwiththeStructuralGenomicsConsortium.Forfurthercharacterizationdetails,pleasevisittheSGC0946probesummaryontheSGCwebsite.
ExternalPortalInformation
Chemicalprobes.orgisaportalthatoffersindependentguidanceontheselectionand/orapplicationofsmallmoleculesforresearch.TheuseofSGC0946isreviewedonthechemicalprobeswebsite.
CompoundLibraries
SGC0946isalsoofferedaspartoftheTocriscreenPlusandTocriscreenEpigeneticsToolbox.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 618.57 |
| Formula | C28H40BrN7O4 |
| Storage | Storeat-20°C |
| Purity | ≥99%(HPLC) |
| PubChemID | 56962337 |
| InChIKey | IQCKJUKAQJINMK-HUBRGWSESA-N |
| Smiles | O[C@H]([C@H](O)[C@@H](CN(C(C)C)CCCNC(NC4=CC=C(C(C)(C)C)C=C4)=O)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(Br)=C1 |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 61.86 | 100 | |
| ethanol | 61.86 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight618.57.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 1.62mL | 8.08mL | 16.17mL |
| 5mM | 0.32mL | 1.62mL | 3.23mL |
| 10mM | 0.16mL | 0.81mL | 1.62mL |
| 50mM | 0.03mL | 0.16mL | 0.32mL |
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ProductDatasheets
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