PEB-598

Lub npe tshuaj:

(S, 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(CO)=O)[C@H]1CN(/C(NC2=CC=CC(OC(F)F)=C2)=N/C#N)N=C1C3=CC(Cl)= C(Cl)C = C3

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-/m0/s1

InChi Key:

OTTJIRVZJJGFTK-SFHVURJKSA-N

Lo lus tseem ceeb:

BAY-598; PAB 598; PAB 598

Solubility:DMSO

Cia: 

Nqe lus piav qhia:

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: tshuaj ntsuam xyuas rau SMYD2