BÀIDH-598

Ainm Ceimigeach:

(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

Còd 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

Còd 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

iuchair InChi:

OTTJIRVZJJGFTK-SFHVURJKSA-N

Facal-luirg:

BÀIDH-598; BÀIDH 598; BÀG 598

Solubility:DMSO

Stòradh: 

Tuairisgeul:

Tha BAY-598 na probe ceimigeach làidir, farpaiseach peptide airson SMYD2. Tha cemotype sònraichte aig BAY-598 an coimeas ris an sgrùdadh ceimigeach SMYD2 gnàthach LLY-507. Tha BAY-598 a’ cur bacadh air methylation in vitro de p53K370 le IC50 = 27 nM agus tha barrachd air taghadh 100-fhillte thairis air histone methyltransferases eile agus targaidean neo-epigenetic eile. Tha BAY-598 a’ cur bacadh air methylation p53K370 ann an ceallan le IC50<1 µM. (A bharrachd air an seo, tha feartan aig BAY-598 a tha co-chosmhail ri deuchainnean in vivo.) Chaidh todhar smachd, BAY-369, a leasachadh cuideachd. Tha BAY-369 a’ cur bacadh air methylation in vitro de p53K370 le IC50 >70 micromolar.

Targaid: sgrùdadh ceimigeach airson SMYD2