BAY-598

Ingoa matū:

(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

Waehere SMILES:

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

Waehere InChi:

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

Kī InChi:

OTTJIRVZJJGFTK-SFHVURJKSA-N

Kupumatua:

BAY-598; BAY 598; PAE598

Wairewa:DMSO

Rokiroki: 

Whakaahuatanga:

Ko te BAY-598 he rangahau matū kaha, peptide-whakataetae mo SMYD2. BAY-598 he chemotype ahurei e pa ana ki te rangahau matū SMYD2 o naianei LLY-507. Ko te BAY-598 te whakakore i te methylation in vitro o p53K370 me te IC50 = 27 nM me te nui atu i te 100-fold selectivity mo etahi atu histone methyltransferases me etahi atu kaupapa kore-epigenetic. Ka aukati te BAY-598 i te methylation o p53K370 i roto i nga pūtau me te IC50<1 µM. (I tua atu i tenei, kei a BAY-598 nga taonga e hototahi ana ki nga whakamatautau in vivo.) Kua hangaia ano he puhui mana, BAY-369. Ka aukati te BAY-369 i te methylation in vitro o p53K370 me te IC50>70 micromolar.

Whāinga: rangahau matū mo SMYD2