(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl- 2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide CAS: 2628280-40-8
Catalog Number | xwm 93399 |
Khoom npe | (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl- 2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
CAS | 2628280-40-8 |
Molecular Formula | C23H32F3N5O4 |
Molecular Luj | 499.53 ib |
Cov ntaub ntawv khaws cia | Ambient |
Khoom Specification
Qhov tshwm sim | Dawb hmoov |
Assay | 99% min |
Cov tshuaj (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3- dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide yog ib qho nyuaj thiab tshwj xeeb nrog ntau yam kev siv hauv Kev tshawb fawb tshuaj thiab kev tsim tshuaj.Cov tshuaj no yog nyob rau hauv chav kawm hu ua azabicyclohexane carboxamides, uas paub tias muaj kev ua haujlwm lom neeg tseem ceeb.Nws yog ib qho chiral compound, muaj cov stereocenters sib txawv, qhia los ntawm (1R, 2S, 5S) kev xaiv.Lub xub ntiag ntawm chirality yog ib qho tseem ceeb vim tias nws tuaj yeem cuam tshuam rau cov khoom siv lom neeg lom neeg thiab kev cuam tshuam nrog cov hom phiaj lom neeg.Ib qho peev xwm siv cov khoom sib xyaw no yog lub hom phiaj rau kev tsim thiab tsim cov tshuaj tshiab.Nws cov qauv tshwj xeeb thiab stereochemistry muab lub sijhawm rau kev sib raug zoo ntawm kev sib raug zoo (SAR) thiab kev ua kom zoo tshaj plaws.Cov kws tshawb fawb tshuaj tuaj yeem hloov kho thaj chaw sib txawv ntawm cov molecule los tshawb xyuas seb cov kev hloov pauv no cuam tshuam rau nws cov kev cuam tshuam nrog cov hom phiaj lom neeg, xws li enzymes, receptors, lossis cov neeg thauj khoom.Qhov kev paub no tuaj yeem siv tau los tsim cov tshuaj muaj zog thiab xaiv ntau yam kab mob.Ntxiv mus, cov qauv kev sib txuas qhia tau hais tias nws yuav muaj peev xwm ua tus protease inhibitor.Proteases yog cov enzymes uas ua lub luag haujlwm tseem ceeb hauv ntau yam txheej txheem lom neeg thiab koom nrog cov kab mob xws li mob qog noj ntshav, HIV, thiab kab mob inflammatory.Cov kev teeb tsa tshwj xeeb thiab cov pab pawg ua haujlwm ntawm cov khoom sib xyaw no ua rau nws muaj kev vam meej rau kev tsim cov tshuaj tiv thaiv protease nrog kev txhim kho potency thiab selectivity.Ntxiv mus, lub compound muaj ib pawg cyano thiab ib lub nplhaib pyrrolidine qhia tias nws yuav muaj kev tiv thaiv kab mob los yog fungal kab mob.Kev hloov kho cov qauv tuaj yeem tsim los txhim kho nws cov khoom siv tshuaj tua kab mob los yog tshuaj tua kab mob thiab ua rau kev txhim kho cov tshuaj tiv thaiv kab mob tshiab.Ntxiv mus, muaj ib pab pawg neeg trifluoroacetyl txhais tau hais tias cov compound yuav muaj peev xwm ua tau raws li cov tshuaj.Prodrugs yog cov tsis muaj zog lossis tsis muaj zog sib txuas uas tuaj yeem hloov mus rau hauv daim ntawv nquag hauv lub cev.Cov pab pawg trifluoroacetyl tuaj yeem ua ib pawg tiv thaiv npog uas tuaj yeem raug tshem tawm kom tso tawm cov tshuaj molecule ntawm qhov chaw xav tau ntawm kev ua.Cov tswv yim no tuaj yeem txhim kho cov tshuaj bioavailability, solubility, lossis xa mus rau cov ntaub so ntswg tshwj xeeb.Nyob rau hauv qhov xaus, cov compound (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin -3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1. 0] hexane-2-carboxamide tuav cov lus cog tseg raws li qhov tseem ceeb hauv kev tshawb fawb tshuaj thiab kev tsim tshuaj.Nws cov txheej txheem nyuaj, stereochemistry, thiab cov pab pawg ua haujlwm tau nthuav tawm ntau lub sijhawm rau kev tsim thiab tsim cov tshuaj tshiab, tshawb nrhiav protease inhibition, tsim cov tshuaj tua kab mob, thiab siv cov tswv yim prodrug.Kev tshawb fawb ntxiv thiab kev tshawb fawb txog nws cov dej num lom neeg thiab cov tshuaj muaj peev xwm yuav ua rau muaj kev cuam tshuam hauv ntau qhov chaw kho mob.