I-BAY-598

Igama Lekhemikhali:

(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

Ikhodi ye-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

Ikhodi ye-InChi:

I-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

I-InChi Key:

OTTJIRVZJJGFTK-SFHVURJKSA-N

Igama elingukhiye:

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

Ukunyibilika:I-DMSO

Isitoreji: 

Incazelo:

I-BAY-598 iwuphenyo lwamakhemikhali olunamandla, oluncintisana ne-peptide lwe-SMYD2. I-BAY-598 ine-chemotype ehlukile ehlobene ne-SMYD2 chemical probe yamanje i-LLY-507. I-BAY-598 ivimbela i-in vitro methylation ye-p53K370 nge-IC50 = 27 nM futhi inokukhetha okungaphezu kwezingu-100 ngaphezu kwamanye ama-histone methyltransferase nezinye izinhloso ezingezona ze-epigenetic. I-BAY-598 ivimbela i-methylation ye-p53K370 kumaseli ane-IC50< 1 µM. (Ngaphezu kwalokhu, i-BAY-598 inezakhiwo ezihambisana nokuhlolwa kwe-vivo.) Inhlanganisela yokulawula, i-BAY-369, nayo yenziwe. I-BAY-369 ivimbela i-in vitro methylation ye-p53K370 nge-IC50 >70 micromolar.

Ithagethi: i-chemical probe ye-SMYD2