BAY-598

Jeneng Kimia:

(S,E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)fenil)carbamidoyl)-3-(3,4-diklorofenil)-4,5-dihydro-1H-pirazol- 4-yl)-N-etil-2-hydroxyacetamide

Kode 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

Kode 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

Kunci InChi:

OTTJIRVZJJGFTK-SFHVURJKSA-N

tembung kunci:

BAY-598; BAY 598; BAY598

Kelarutan:DMSO

Panyimpenan: 

katrangan:

BAY-598 minangka probe kimia kompetitif peptida sing kuat kanggo SMYD2. BAY-598 nduweni chemotype unik relatif kanggo probe kimia SMYD2 saiki LLY-507. BAY-598 nyegah metilasi in vitro p53K370 kanthi IC50 = 27 nM lan nduweni selektivitas luwih saka 100 kali lipat liwat metiltransferase histon liyane lan target non-epigenetik liyane. BAY-598 nyegah metilasi p53K370 ing sel kanthi IC50< 1 µM. (Saliyane iki, BAY-598 nduweni sifat sing kompatibel karo eksperimen in vivo.) Senyawa kontrol, BAY-369, uga wis dikembangake. BAY-369 nyegah metilasi in vitro p53K370 kanthi IC50>70 mikromolar.

Target: probe kimia kanggo SMYD2