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ChemicalBook--->CAS DataBase List--->211555-05-4

211555-05-4

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    211555-05-4 Structure

    211555-05-4 Structure
    IdentificationBack Directory
    [Name]

    JAK3 Inhibitor I
    [CAS]

    211555-05-4
    [Synonyms]

    WHI-P-97;WHI P97
    JAK3 Inhibitor I USP/EP/BP
    2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
    Phenol, 2,6-dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]-
    WHI-P 974-(3',5'-DibroMo-4-hydroxyphenyl)aMino-6,7-diMethoxyquinazoline
    [Molecular Formula]

    C16H13Br2N3O3
    [MDL Number]

    MFCD02683947
    [MOL File]

    211555-05-4.mol
    [Molecular Weight]

    455.1
    Chemical PropertiesBack Directory
    [Boiling point ]

    470.9±45.0 °C(Predicted)
    [density ]

    1.785
    [storage temp. ]

    Store at -20°C
    [solubility ]

    DMSO : 5.88 mg/mL (12.92 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
    [form ]

    Powder
    [pka]

    7.05±0.36(Predicted)
    [color ]

    White to gray
    Safety DataBack Directory
    [Symbol(GHS) ]


    GHS07
    [Signal word ]

    Warning
    [Hazard statements ]

    H317
    [Precautionary statements ]

    P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
    Hazard InformationBack Directory
    [Definition]

    ChEBI: 2,6-dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol is a member of quinazolines.
    [Biological Activity]

    WHI-P97 is a potent JAK-3 inhibitor with Ki of 0.09 μM and IC50 of 2.5 μM in EGFR kinase inhibition assay.
    [in vitro]

    WHI-P97 inhibits the translocation of 5-lipoxygenase (5-LO) from the nucleoplasm to the nuclear membrane and consequently 5-LO-dependent leukotriene (LT) synthesis after IgE receptor/FcεRI crosslinking by >90 % at low micromolar concentrations. WHI-P97 (30 μM) stantially reduces the IgE/antigen-induced LTC4 release from mast cells.

    [in vivo]

    WHI-P97 is very well tolerated in mice, with no signs of toxicity at dose levels ranging from 5 μg/kg to 50 mg/kg, and LD 10 is not reached at a 50 mg/kg dose level when administered as a single ip or iv bolus dose. WHI-P97 (iv injection; 40 mg/kg; single dose) has an elimination half-life (t 1/2 ) of 58.9 min and systemic clearance (CL) of 891 ml/h/kg in CD-1 mice and at 1/2 of 84.2 min and CL of 1513 ml/h/kg in BALB/ c mice. The values for AUC and C max are 107.3 μM and 296.7 μM, respectively, in CD-1 mice. And the IC 50 values are 58.4 μM and 212.7 μM , respectively, in BALB/c mice. The large volume of distribution are 322 ml/kg in CD-1 mice and 415 ml/kg in BALB/c mice. WHI-P97 (intraperitoneal injection; 40 mg/kg; 24 days) prevents ovalbumin-sensitized mice the development of airway hyper-responsiveness to methacholine in a dose-dependent fashion in mice. WHI-P97 inhibits the eosinophil recruitment to the airwa y lumen after the ovalbumin challenge in a dose-dependent fashion.

    Animal Model: BALB/c mouse model of allergic asthma
    Dosage: 40 mg/kg
    Administration: intraperitoneal injection; 24 days
    Result: Showed promising biological activity in a mouse model of allergic asthma at nontoxic dose levels.
    [target]

    TargetValue
    JAK3
    ()
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