BAY598 R-isomer

BAY598 R-isomer
  • Nomen:BAY598 R-isomer
  • Catalogue No.CPD2052
  • CAS No.:1906920-28-2 (BAY598 R-isomer)
  • Pondus hypotheticum:524.09
  • Formulae chemica:C22H20Cl2F2N6O3
  • Investigationes scientificae tantum, non aegros.

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    Nomen chemicum:

    (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:

    BAV 598 R-isomer; DAPHNE 598 R-isomer; BAY598 R-isomer

    Solubilitas:DMSO

    Repono: 

    Descriptio:

    BAY-598 R-isomer est R-isomer de BAY589. BAV 598 R-isomer adhiberi potest ut compositi relatio. DAPHNE-CXCVIII validum est, specillum peptide-competitivum chemicum pro SMYD2. BAY-598 unicum chemotypum habet relativum cum SMYD2 currenti chemico probe LLY-57. BAY-598 vetat in vitro methylationis p53K370 cum IC50 = 27 nM, et plus quam 100-plicare selectivity super alios methyltransferases et alia scuta non epigenetica. BAV-598 vetat methylationem p53K370 in cellulis cum IC50< 1 µM. (Praeterea ad hoc, DAPHNE-598 proprietates habet quae cum experimentis vivo compatiuntur. BAV-369 vetat in vitro methylationis p53K370 cum IC50 >70 micromolar.

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