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ChemicalBook--->CAS DataBase List--->314761-14-3

314761-14-3

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  • 314761-14-3 Structure

    314761-14-3 Structure
    IdentificationBack Directory
    [Name]

    BTSA 1
    [CAS]

    314761-14-3
    [Synonyms]

    BTSA 1
    CS-2853
    BTSA 1;BTSA-1
    BTSA1 >=98% (HPLC)
    5-Phenyl-2-(4-phenyl-thiazol-2-yl)-4-(thiazol-2-yl-hydrazono)-2,4-dihydro-pyrazol-3-one
    1H-Pyrazole-4,5-dione, 3-phenyl-1-(4-phenyl-2-thiazolyl)-, 4-[2-(2-thiazolyl)hydrazone]
    [Molecular Formula]

    C21H14N6OS2
    [MOL File]

    314761-14-3.mol
    [Molecular Weight]

    430.51
    Chemical PropertiesBack Directory
    [Boiling point ]

    625.2±48.0 °C(Predicted)
    [density ]

    1.49±0.1 g/cm3(Predicted)
    [storage temp. ]

    Sealed in dry,2-8°C
    [solubility ]

    DMSO:53.0(Max Conc. mg/mL);123.11(Max Conc. mM)
    [form ]

    Solid
    [pka]

    6.52±0.40(Predicted)
    [color ]

    Brown to reddish brown
    [InChI]

    InChI=1S/C21H14N6OS2/c28-19-18(24-25-20-22-11-12-29-20)17(15-9-5-2-6-10-15)26-27(19)21-23-16(13-30-21)14-7-3-1-4-8-14/h1-13H,(H,22,25)
    [InChIKey]

    KYVZVVOQWWCVPP-UHFFFAOYSA-N
    [SMILES]

    N1(C2=NC(C3=CC=CC=C3)=CS2)C(=O)C(=NNC2=NC=CS2)C(C2=CC=CC=C2)=N1
    Safety DataBack Directory
    [Symbol(GHS) ]


    GHS07
    [Signal word ]

    Warning
    [Hazard statements ]

    H302
    [Precautionary statements ]

    P280-P305+P351+P338
    Hazard InformationBack Directory
    [Uses]

    BTSA1 is a potent, high affinity and orally active BAX activator with an IC50 of 250 nM and an EC50 of 144 nM. BTSA1 binds with high affinity and specificity to the N-terminal activation site and induces conformational changes to BAX leading to BAX-mediated apoptosis[1].
    [Biological Activity]

    BTSA1 is a BAX activator that binds to its N-terminal activation site with high affinity and specificity, induces a conformational change in BAX, and causes BAC-mediated apoptosis. It efficiently promotes apoptosis in leukemia cell lines and patient samples without affecting healthy cells.
    [in vivo]

    BTSA1 effectively inhibits human acute myeloid leukemia xenografts and enhances host survival without toxic side effects. In mice, it was well tolerated.
    [target]

    TargetValue
    Bax
    ()
    [IC 50]

    Bax: 250 nM (IC50); Bax: 144 nM (EC50)
    [References]

    [1] Reyna DE, et al. Direct Activation of BAX by BTSA1 Overcomes Apoptosis Resistance in Acute Myeloid Leukemia. Cancer Cell. 2017 Oct 9;32(4):490-505.e10. DOI:10.1016/j.ccell.2017.09.001
    Spectrum DetailBack Directory
    [Spectrum Detail]

    BTSA 1(314761-14-3)1HNMR
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