BAY598 R-isomer

Lub npe tshuaj:

(R, E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol- 4-yl)-N-ethyl-2-hydroxyacetamide

SMILES Code:

CCN([C@@H]1CN(N=C1C2=CC(Cl)=C(C=C2)Cl)/C(NC3=CC=CC(OC(F)F)=C3)=N/C# N)C(CO) = O

InChi Code:

InChI = 1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13) 22( 28-12-27) 29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H ,28,29)/t18-/m1/s1

InChi Key:

OTTJIRVZJJGFTK-GOSISDBHSA-N

Lo lus tseem ceeb:

BAY-598 R-isomer; BAY 598 R-isomer; BAY598 R-isomer

Solubility:DMSO

Cia: 

Nqe lus piav qhia:

BAY-598 R-isomer yog R-isomer ntawm BAY589. BAY-598 R-isomer tuaj yeem siv los ua cov ntaub ntawv siv. BAY-598 yog lub zog, peptide-kev sib tw tshuaj soj ntsuam rau SMYD2. BAY-598 muaj qhov tshwj xeeb chemotype txheeb ze rau SMYD2 tshuaj ntsuam xyuas LLY-507 tam sim no. BAY-598 inhibits nyob rau hauv vitro methylation ntawm p53K370 nrog IC50 = 27 nM thiab muaj ntau tshaj 100-fold selectivity dua lwm cov histone methyltransferases thiab lwm yam uas tsis yog-epigenetic lub hom phiaj. BAY-598 inhibits methylation ntawm p53K370 hauv hlwb nrog IC50<1 µM. (Ntxiv rau qhov no, BAY-598 muaj cov khoom sib xws hauv vivo thwmsim.) Ib qho kev tswj xyuas, BAY-369, kuj tau tsim. BAY-369 inhibits in vitro methylation ntawm p53K370 nrog IC50 >70 micromolar ua.

Hom phiaj: