MedKooCat#:206169
Name:TAK-659HCl
CAS#:1312691-41-0
ChemicalFormula:C17H23Cl2FN6O
ExactMass:
MolecularWeight:417.3104
ElementalAnalysis:C,48.93;H,5.56;Cl,16.99;F,4.55;N,20.14;O,3.83
RelatedCAS#:1312691-41-0(2HCl) 1952251-28-3(HCl) 1312691-33-0(free)
Synonym:TAK659,TAK-659,TAK659,TAK-659HCl,TAK659dihydrochloride
IUPAC/ChemicalName:6-(((1R,2S)-2-aminocyclohexyl)amino)-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-onedihydrochloride
InChiKey:BZSLKYUVNSVQRA-UVDYRLMLSA-N
InChiCode:InChI=1S/C17H21FN6O.2ClH/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19;;/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23);2*1H/t11-,12+;;/m0../s1
SMILESCode:O=C1NCC2=C1C(C3=CN(C)N=C3)=NC(N[C@H]4[C@@H](N)CCCC4)=C2F.[H]Cl.[H]Cl
TechnicalData
References
1:PurroyN,CarABIaJ,AbrisquetaP,EgiaL,AguilóM,CarpioC,PalacioC,CrespoM,BoschF.InhibitionofBCRsignalingusingtheSykinhibitorTAK-659preventsstroma-mediatedsignalinginchroniclymphocyticleukemiacells.Oncotarget.2016Nov24.doi:10.18632/oncotarget.13557.[Epubaheadofprint]PubMedPMID:27888629.
2:LamB,ArikawaY,CramlettJ,DongQ,deJongR,FeherV,GrimshawCE,FarrellPJ,HoffmanID,JenningsA,JonesB,MatuszkiewiczJ,MiuraJ,MiyakeH,NatalaSR,ShiL,TakahashiM,TaylorE,WyrickC,YanoJ,ZalevskyJ,NieZ.DiscoveryofTAK-659anorallyavailableinvestigationalinhibitorofSpleenTyrosineKinase(SYK).BioorgMedChemLett.2016Dec15;26(24):5947-5950.doi:10.1016/j.bmcl.2016.10.087.PubMedPMID:27839918.
3.PreparationoffusedheteroaromaticpyrrolidinonesasSYKinhibitorsfortreatingimmuneandinflammatorydisorders.ByArikawa,Yasuyoshi;Dong,Qing;Feher,Victoria;Jones,Benjamin;Lam,Betty;Nie,Zhe;Smith,Christopher;Takahashi,Masashi.FromU.S.Pat.Appl.Publ.(2011),US20110152273A120110623.
