MedKooCat#:406561
Name:Ulixertinib(BVD-523)
CAS#:869886-67-9
ChemicalFormula:C21H22Cl2N4O2
ExactMass:432.11198
MolecularWeight:433.33
ElementalAnalysis:C,58.21;H,5.12;Cl,16.36;N,12.93;O,7.38
RelatedCAS#:869886-67-9(freebase) 1956366-10-1(HCl) 1975172-95-2(HClhydrate)
Synonym:BVD-523,BVD523,BVD523,VRT752271,VRT752271,VRT752271,Ulixertinib
IUPAC/ChemicalName:(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide.
InChiKey:KSERXGMCDHOLSS-LJQANCHMSA-N
InChiCode:InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h4-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
SMILESCode:O=C(C1=CC(C2=CC(NC(C)C)=NC=C2Cl)=CN1)N[C@@H](C3=CC=CC(Cl)=C3)CO
1:KumarR,SureshPS,RudreshG,ZainuddinM,DewangP,KethiriRR,RajagopalS,MullangiR.DeterminationofulixertinibinmiceplasmabyLC-MS/MSanditsapplicationtoapharmacokineticstudyinmice.JPharmBiomedAnal.2016Jun5;125:140-4.doi:10.1016/j.jpba.2016.03.036.PubMedPMID:27017572.
2.Martinez-Botella;Gabriel(WestRoxbury,MA),Hale;Michael(Bedford,MA),Maltais;Francois(Tewksbury,MA),Straub;Judith(SantaCruz,CA),Tang;Qing(Acton,MA),PyrroleinhibitorsofERKproteinkinase,synthesisthereofandintermediatesthereto,US7,354,939(2008).