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ChemicalBook--->CAS DataBase List--->2138861-99-9

2138861-99-9

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  1. 2138861-99-9 Structure

    2138861-99-9 Structure
    IdentificationBack Directory
    [Name]

    ABBV-744
    [CAS]

    2138861-99-9
    [Synonyms]

    CPD1639
    CS-2875
    ABBV-744
    ABBV-744; ABBV 744; ABBV744;2138861-99-9
    N-Ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl]-6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
    1H-Pyrrolo[2,3-c]pyridine-2-carboxamide, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl]-6,7-dihydro-6-methyl-7-oxo-
    [Molecular Formula]

    C28H30FN3O4
    [MDL Number]

    MFCD31657409
    [MOL File]

    2138861-99-9.mol
    [Molecular Weight]

    491.55
    Chemical PropertiesBack Directory
    [Boiling point ]

    663.7±55.0 °C(Predicted)
    [density ]

    1.262±0.06 g/cm3(Predicted)
    [storage temp. ]

    Store at -20°C
    [solubility ]

    DMSO:33.57(Max Conc. mg/mL);68.29(Max Conc. mM)
    DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.51(Max Conc. mM)
    DMF:30.0(Max Conc. mg/mL);61.03(Max Conc. mM)
    [form ]

    A crystalline solid
    [pka]

    13.77±0.40(Predicted)
    [color ]

    White to light yellow
    [InChIKey]

    OEDSFMUSNZDJFD-UHFFFAOYSA-N
    [SMILES]

    C1(=O)N(C)C=C(C2=CC(C(O)(C)C)=CC=C2OC2=C(C)C=C(F)C=C2C)C2C=C(C(NCC)=O)NC1=2
    Safety DataBack Directory
    [Symbol(GHS) ]


    GHS07
    [Signal word ]

    Warning
    Hazard InformationBack Directory
    [Uses]

    ABBV 744 is a bromodomain and extra-??terminal (BET) inhibitor used as a combination therapy for cancer treatment.
    [Biological Activity]

    ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2, BRD3 and BRD4. It can be further studied for the treatment of acute myeloid leukemia and cancer.
    [in vitro]

    ABBV-744 is a potent BDII inhibitor that inhibits BRD2/3/4. The binding preference for BDII is more than 250 times that for BDI, with favorable drug-like properties. It is also an inhibitor of the androgen receptor transduction pathway.

    [in vivo]

    The maximum tolerated dose of ABBV-744 induces tumor growth inhibition in AML and prostate cancer xenograft models.

    [target]

    TargetValue
    BDII
    ()
    [IC 50]

    BRD2 (BD2): 8 nM (IC50); BRD3 (BD2): 13 nM (IC50); BRDT (BD2): 18 nM (IC50); BRD4 (BD2): 4 nM (IC50); BRD4 (BD2): 3 nM (Kd)
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