BAV-598

Nomen chemicum:

(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

Keyword:

BAV-598; DAPHNE 598; BAY598

Solubilitas:DMSO

Repono: 

Descriptio:

DAPHNE-CXCVIII validum est, specillum peptide-competitivum chemicum pro SMYD2. BAY-598 unicum chemotypum habet relativum cum SMYD2 currenti chemico probe LLY-57. BAY-598 vetat in vitro methylationis p53K370 cum IC50 = 27 nM, et plus quam 100-plicare selectivity super alios methyltransferases et alia scuta non epigenetica. BAV-598 vetat methylationem p53K370 in cellulis cum IC50< 1 µM. (Praeterea ad hoc, DAPHNE-598 proprietates habet quae cum experimentis vivo compatiuntur. BAV-369 vetat in vitro methylationis p53K370 cum IC50 >70 micromolar.

Target: chemical specillo SMYD2