BAY598 R-izomè

Non chimik:

(R,E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-diklorophenyl)-4,5-dihydro-1H-pirazol- 4-yl)-N-etil-2-hydroxyacetamide

Kòd SMILES:

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

Kòd 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-/m1/s1

InChi kle:

OTTJIRVZJJGFTK-GOSISDBHSA-N

Mot:

BAY-598 R-izomè; BAY 598 R-izomè; BAY598 R-izomè

Solibilite:DMSO

Depo: 

Deskripsyon:

BAY-598 R-izomè se R-izomè BAY589. BAY-598 R-izomè ka itilize kòm yon konpoze referans. BAY-598 se yon pwofonde chimik ki pisan, peptide-konpetitif pou SMYD2. BAY-598 gen yon chemotype inik parapò ak aktyèl pwofonde chimik SMYD2 LLY-507 la. BAY-598 inibit in vitro methylation nan p53K370 ak IC50 = 27 nM epi li gen plis pase 100-pliye selektivite sou lòt methyltransferases histon ak lòt sib ki pa epigenetik. BAY-598 inibit metilasyon p53K370 nan selil ki gen IC50.< 1 µM. (Anplis de sa, BAY-598 gen pwopriyete ki konpatib ak eksperyans nan vivo.) Yo te devlope yon konpoze kontwòl, BAY-369 tou. BAY-369 inibit metilasyon an vitro nan p53K370 ak IC50>70 mikromolar.

Sib: