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331862-41-0

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    331862-41-0 Structure

    331862-41-0 Structure
    IdentificationBack Directory
    [Name]

    IMR-1A
    [CAS]

    331862-41-0
    [Synonyms]

    IMR-1A
    IMR-1A, >98%
    IMR1A;IMR 1A;IMR-1A
    Acetic acid, 2-[2-methoxy-4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-
    [Molecular Formula]

    C13H11NO5S2
    [MDL Number]

    MFCD04083080
    [MOL File]

    331862-41-0.mol
    [Molecular Weight]

    325.36
    Chemical PropertiesBack Directory
    [density ]

    1.55±0.1 g/cm3(Predicted)
    [storage temp. ]

    Inert atmosphere,2-8°C
    [solubility ]

    DMSO:4.0(Max Conc. mg/mL);12.29(Max Conc. mM)
    Water:1.0(Max Conc. mg/mL);3.07(Max Conc. mM)
    [form ]

    Solid
    [pka]

    3.10±0.10(Predicted)
    [color ]

    Light yellow to yellow
    Safety DataBack Directory
    [Symbol(GHS) ]

    Exclamation Mark (GHS07)
    GHS07
    [Signal word ]

    Warning
    [Hazard statements ]

    H302-H315-H319-H335
    [Precautionary statements ]

    P261-P305+P351+P338
    Spectrum DetailBack Directory
    [Spectrum Detail]

    IMR-1A(331862-41-0)1HNMR
    Hazard InformationBack Directory
    [Biological Activity]

    IMR-1A is a potent inhibitor of Notch with IC50 of 0.5 μM and Kd of 2.9 μM. It has antitumor activity.
    [in vivo]

    IMR-1A (2 mg/kg (iv) and 100 mg/kg (ip)) exhibits low systematic plasma clearance (CL = 7 mL/min/kg) with terminal elimination half-life (T1/ 2) of 2.22 h following a single iv administration. The normal liver blood flow in mice is 90 mL/min/kg and the Vss (volume of distribution) is ~4-fold. Plasma concentrations is quantifiable up to 24 h with Tmax of 0.50 h after ip administration.

    < td class="col1 fwb"> Administration:
    Animal Model: Male C57 BL/6 mice
    Dosage: 2 mg/kg (iv) and 100 mg/kg (ip)
    Iv and ip
    Result: Exhibited low systematic plasma clearance (CL = 7 mL/min/kg) with terminal elimination half-life (T1/2) of 2.22 h following a single iv administration and plasma concentrations is quantifiable up to 24 h with Tmax of 0.50 h after ip administration.
    [target]

    < /table>
    TargetValue
    Notch
    (Cell-free assay)
    0.5 μM
    Notch
    (Cell-free assay)
    2.9 μM(Kd)
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