BiologicalActivity
PotentandselectiveBRD9inhibitor(pIC50=7.3).Exhibits>70-foldselectivityforBRD9overapanelof34otherbromodomainsand>700-foldselectivityovertheBETfamily.DownregulatesCLEC1,DUSP6,FESandSAMSN1genesinKasumi-1cells.
LicensingInformation
ThisprobeissuppliedinconjunctionwiththeStructuralGenomicsConsortium.Forfurthercharacterizationdetails,pleasevisittheI-BRD9probesummaryontheSGCwebsite.
ExternalPortalInformation
Chemicalprobes.orgisaportalthatoffersindependentguidanceontheselectionand/orapplicationofsmallmoleculesforresearch.TheuseofI-BRD9isreviewedonthechemicalprobeswebsite.
CompoundLibraries
I-BRD9isalsoofferedaspartoftheTocriscreenPlus.FindoutmoreaboutcompoundlibrariesavailablefromTocris.
TechnicalData
| M.Wt | 497.55 |
| Formula | C22H22F3N3O3S2 |
| Storage | Storeat-20°C |
| Purity | ≥98%(HPLC) |
| CASNumber | 1714146-59-4 |
| PubChemID | 91668541 |
| InChIKey | WRUWGLUCNBMGPS-UHFFFAOYSA-N |
| Smiles | O=C1C2=C(SC(C(NC3CCS(CC3)(=O)=O)=N)=C2)C(C4=CC=CC(C(F)(F)F)=C4)=CN1CC |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
SolubilityData
| Solvent | MaxConc.mg/mL | MaxConc.mM | |
|---|---|---|---|
| Solubility | |||
| 1eq.HCl | 9.95 | 20 | |
| DMSO | 49.76 | 100 |
PreparingStockSolutions
Thefollowingdataisbasedontheproductmolecularweight497.55.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
| Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
|---|---|---|---|
| 1mM | 2.01mL | 10.05mL | 20.1mL |
| 5mM | 0.4mL | 2.01mL | 4.02mL |
| 10mM | 0.2mL | 1mL | 2.01mL |
| 50mM | 0.04mL | 0.2mL | 0.4mL |
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