BAY598 R-isomer

BAY598 R-isomer
  • Igoa:BAY598 R-isomer
  • Numera fa'amaumauga:CPD2052
  • Numera CAS:1906920-28-2 (BAY598 R-isomer)
  • Molecular Weight:524.09
  • Fua fa'atatau ole vaila'au:C22H20Cl2F2N6O3
  • Mo na'o su'esu'ega fa'asaienisi, ae le mo gasegase.

    Fa'amatalaga Oloa

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    Igoa vaila'au:

    (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

    upu autu:

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

    Solubility:DMSO

    Teuina: 

    Fa'amatalaga:

    BAY-598 R-isomer o le R-isomer o le BAY589. BAY-598 R-isomer e mafai ona faʻaaogaina e fai ma faʻasalalauga faʻapitoa. BAY-598 o se su'esu'ega vaila'au malosi, peptide-fa'atauva mo SMYD2. BAY-598 ei ai se chemotype tulaga ese e fesoʻotaʻi ma le SMYD2 suʻega vailaʻau o loʻo iai nei LLY-507. BAY-598 faʻalavelave in vitro methylation o p53K370 ma IC50 = 27 nM ma e sili atu nai lo le 100-filifili filifilia i luga o isi histone methyltransferases ma isi sini e le o epigenetic. BAY-598 taofia le methylation o p53K370 i sela ma IC50<1 µM. (E le gata i lea, o le BAY-598 o loʻo i ai meatotino e fetaui ma faʻataʻitaʻiga in vivo.) Ua fausia foʻi se faʻalapotopotoga faʻatonutonu, BAY-369. BAY-369 taofia le in vitro methylation o p53K370 ma IC50>70 micromolar.

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