BAY598 R-isomer

BAY598 R-isomer
  • Name: BAY598 R-isomer
  • Catalog No.: CPD2052
  • CAS No.: 1906920-28-2 (BAY598 R-isomer)
  • Molecular Weight: 524.09
  • Chemical Formula: C22H20Cl2F2N6O3
  • For scientific research only, not for patients.

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    Chemical Name:

    (R,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

    SMILES Code: 

    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

    InChi Code:

    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 Key:

    OTTJIRVZJJGFTK-GOSISDBHSA-N

    Keyword:

    BAY-598 R-isomer; BAY 598 R-isomer; BAY598 R-isomer

    Solubility: DMSO

    Storage: 

    Description: 

    BAY-598 R-isomer is the R-isomer of BAY589. BAY-598 R-isomer may be used as a reference compound. BAY-598 is a potent, peptide-competitive chemical probe for SMYD2. BAY-598 has a unique chemotype relative to the current SMYD2 chemical probe LLY-507. BAY-598 inhibits in vitro methylation of p53K370 with IC50 = 27 nM and has more than 100-fold selectivity over other histone methyltransferases and other non-epigenetic targets. BAY-598 inhibits the methylation of p53K370 in cells with IC50 < 1 µM. (Further to this, BAY-598 has properties that are compatible with in vivo experiments.) A control compound, BAY-369, has also been developed. BAY-369 inhibits the in vitro methylation of p53K370 with IC50 > 70 micromolar.

    Target: 


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