MedKooCat#:510294
Name:GNE-9605
CAS#:1536200-31-3
ChemicalFormula:C17H20ClF4N7O
ExactMass:449.1354
MolecularWeight:449.83
ElementalAnalysis:C,45.39;H,4.48;Cl,7.88;F,16.89;N,21.80;O,3.56
Synonym:GNE9605;GNE-9605;GNE9605.
IUPAC/ChemicalName:N2-(5-chloro-1-((3R,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
InChiKey:PUXPEQJKNAWNQA-DGCLKSJQSA-N
InChiCode:InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m1/s1
SMILESCode:FC(C1=CN=C(NC2=C(Cl)N([C@H]3[C@H](F)CN(C4COC4)CC3)N=C2)N=C1NC)(F)F
TechnicalData
AdditionalInformation
References
1:EstradaAA,ChanBK,Baker-GlennC,BeresfordA,BurdickDJ,ChambersM,ChenH,DominguezSL,DotsonJ,DrummondJ,FlagellaM,FujiR,GillA,HalladayJ,HarrisSF,HeffronTP,KleinheinzT,LeeDW,LePichonCE,LiuX,LyssikatosJP, MedhurstAD,MoffatJG,NashK,Scearce-LevieK,ShengZ,ShoreDG,WongS,ZhangS,ZhangX,ZhuH,SweeneyZK.Discoveryofhighlypotent,selective,andbrain-penetrantaminopyrazoleleucine-richrepeatkinase2(LRRK2)smallmoleculeinhibitors.JMedChem.2014Feb13;57(3):921-36.doi:10.1021/jm401654j.Epub2014Jan15.PubMedPMID:24354345.
