NCT-505-DataSheet-生命科学试剂-MedChemExpress

Hotline:400-820-3792Inhibitors•ScreeningLibraries•Proteinswww.MedChemENCT-505Cat.No.:HY-112277CASNo.:2231079-74-4分⼦式:C₂₇H₂₈FN₅O₃S分⼦量:521.61作⽤靶点:AldehydeDehydrogenase(ALDH)作⽤通路:MetabolicEnzyme/Protease储存⽅式:Powder-20°C3years4°C2yearsInsolvent-80°C6months-20°C1month溶解性数据体外实验DMSO:100mg/mL(191.71mM;Needultrasonic)MassSolvent1mg5mg10mgConcentration制备储备液1mM1.9171mL9.5857mL19.1714mL5mM0.3834mL1.9171mL3.8343mL10mM0.1917mL0.9586mL1.9171mL请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；⼀旦配成溶液，请分装保存，避免反复冻融造成的产品失效。储备液的保存⽅式和期限：-80°C,6months;-20°C,1month。-80°C储存时，请在6个⽉内使⽤，-20°C储存时，请在1个⽉内使⽤。体内实验请根据您的实验动物和给药⽅式选择适当的溶解⽅案。以下溶解⽅案都请先按照InVitro⽅式配制澄的储备液，再依次添加助溶剂：(为保证实验结果的可靠性，澄的储备液可以根据储存条件，适当保存；体内实验的⼯作液，建议您现⽤现配，当天使⽤；以下溶剂前显⽰的百分⽐指该溶剂在您配制终溶液中的体积占⽐；如在配制过程中出现沉淀、析出现象，可以通过加热和/或超声的⽅式助溶)1.请依序添加每种溶剂：10%DMSO>>40%PEG300>>5%Tween-80>>45%salineSolubility:≥2.5mg/mL(4.79mM);Clearsolution1/2MasterofBioactiveMolecules—您⾝边的抑制剂⼤师www.MedChemE2.请依序添加每种溶剂：10%DMSO>>90%cornoilSolubility:≥2.5mg/mL(4.79mM);ClearsolutionBIOLOGICALACTIVITY⽣物活性NCT-505⼀种有效的，选择性的⼄醛脱氢酶(aldehydedehydrogenase(ALDH1A1))抑制剂，IC50值为7nM，对hALDH1A2，hALDH1A3，hALDH2，hALDH3A1的抑制作⽤较弱，IC50值分别为>57，22.8，20.1，>57μM。IC50&TargetIC50:7nM(ALDH1A1),>57μM(hALDH1A2),22.8μM(hALDH1A3),20.1μM(hALDH2),>57μM(hALDH3A1)[1]体外研究NCT-505(Compound86)isapotentandselectivealdehydedehydrogenase(ALDH1A1)inhibitor,withanIC50of7nM,andweaklyinhibitshALDH1A2,hALDH1A3,hALDH2,hALDH3A1(IC50s,>57,22.8,20.1,>57μM).NCT-505hasnoobviousinhibitoryeffecon5-hydroxyprostaglandindehydrogenase(HPGD)andtype-4hydroxysteroiddehydrogenase(HSD17β4)(IC50,>57μM).Moreover,NCT-505showspotentcellularactivities,reducingtheviabilityofOV-90cellswithanEC50of2.10-3.92μM.NCT-505isalsocytotoxictoSKOV-3-TRcells,withIC50sof1,3,10,20,30μM,respectively,inthetitrationassay[1].PROTOCOLCellAssay[1]Cellsareharvested,andanequalvolumeoffirstcompound(NCT-505orpaclitaxel(Taxol))attheindicatedconcentrationorvehicleDMSO(finalDMSOconcentrationisthesameinallconditions)isaddedtothecellsuspensionbeforedispensing.Cellsaredispensedinto384-well,white,TC-treatedplatesatadensityof3000cells/wellinavolumeof30μLofgrowthmedia/wellusingaMultidropCombidispenser.Immediatelyafterdispensing,thesecondcompound(ALDH1A1inhibitororpaclitaxel)andcontrolsolutions(92nL)aretransferredusingapintool.Platesarecoveredwithabreathablesealandincubatedfor4daysat37°C,5%CO2,85%RHfollowedbyadditionof20μLofCellTiter-Glo.Aftera-30minincubationatrt,samplesareanalyzedforluminescenceintensityusingaViewLuxhigh-throughputCCDimagerequippedwithclearfilters.Pinnedcompoundsaretestedas16-pointdilutionseries,withconcentrationsrangingfrom30.7μMto70.1nMforALDH1A1inhibitors(NCT-505,etc.)or31.7μMto0.034nMforpaclitaxel,intriplicate.Dataarenormalizedtopositivecontrolbortezomib(1μMfinal)andneutralcontrolDMSO[1].MCEhasnotindependentlyconfirmedtheaccuracyofthesemethods.Theyareforreferenceonly.REFERENCES[1].YangSM,etal.DiscoveryofOrallyBioavailable,Quinoline-BasedAldehydeDehydrogenase1A1(ALDH1A1)InhibitorswithPotentCellularActivity.JMedChem.2018Jun14;61(11):4883-4903.McePdfHeightCaution:Producthasnotbe