I-BAY-598

Igama leMchiza:

(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

Ikhowudi yoncumo:

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

Ikhowudi ye-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

Isitshixo se-InChi:

OTTJIRVZJJGFTK-SFHVURJKSA-N

Igama elingundoqo:

I-BAY-598; I-BAY 598; BAY598

Ukunyibilika:I-DMSO

Ugcino: 

Inkcazo:

I-BAY-598 yikhemikhali enamandla, ekhuphisana ne-peptide ye-SMYD2. I-BAY-598 ine-chemotype eyodwa enxulumene ne-SMYD2 yangoku yekhemikhali probe LLY-507. I-BAY-598 inqanda i-vitro methylation ye-p53K370 kunye ne-IC50 = i-27 nM kwaye ine-selectivity engaphezulu kwe-100 ngaphezu kwezinye i-histone methyltransferases kunye nezinye iithagethi ezingekho ze-epigenetic. I-BAY-598 inqanda i-methylation ye-p53K370 kwiiseli ezine-IC50< 1 µM. (Ukuqhubela phambili koku, i-BAY-598 ineempawu ezihambelana novavanyo lwe-vivo.) Ikhompawundi yolawulo, i-BAY-369, nayo iye yaphuhliswa. I-BAY-369 inqanda i-in vitro methylation ye-p53K370 nge-IC50 >70 micromolar.

Ithagethi: uphando lweekhemikhali ze-SMYD2