BAY-598

Orukọ Kemikali:

(S, E) -N-(1- (N'-cyano-N---------- 4-yl)-N-ethyl-2-hydroxyacetamide

KỌỌDỌ 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

Koodu 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

Bọtini InChi:

OTTJIRVZJJGFTK-SFHVURJKSA-N

Koko:

BAY-598; BAY 598; BAY598

Solubility:DMSO

Ibi ipamọ: 

Apejuwe:

BAY-598 jẹ ohun elo ti o lagbara, peptide-ifigagbaga kemikali fun SMYD2. BAY-598 ni chemotype alailẹgbẹ ti o ni ibatan si iwadii kemikali SMYD2 lọwọlọwọ LLY-507. BAY-598 ṣe idiwọ in vitro methylation ti p53K370 pẹlu IC50 = 27 nM ati pe o ni diẹ sii ju 100-fold selectivity lori awọn miiran methyltransferases histone ati awọn miiran ti kii-epigenetic afojusun. BAY-598 ṣe idiwọ methylation ti p53K370 ninu awọn sẹẹli pẹlu IC50<1µM. (Siwaju si eyi, BAY-598 ni awọn ohun-ini ti o ni ibamu pẹlu awọn idanwo vivo.) Apo iṣakoso, BAY-369, tun ti ni idagbasoke. BAY-369 ṣe idiwọ methylation in vitro ti p53K370 pẹlu IC50>70 micromolar.

Àfojúsùn: iwadii kemikali fun SMYD2