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    Flonoltinib maleate

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    2D Structure
    Also known as: 2568842-57-7, Flonoltinib (sulfate), Orb2945907, Ex-a6365, Hy-130247c
    Molecular Formula
    C25H36FN7O5S
    Molecular Weight
    565.7  g/mol
    InChI Key
    IEZUCWOITIANPZ-UHFFFAOYSA-N
    Flonoltinib Maleate is the maleate salt form of flonoltinib, an orally bioavailable dual inhibitor of both Janus-associated kinase 2 (JAK2) and of FMS-like tyrosine kinase 3 (FLT3; CD135; STK1; FLK2), with potential anti-inflammatory, immunomodulating and antineoplastic activities. Upon oral administration, flonoltinib targets, binds to and inhibits the activity of both JAK2 and FLT3. This prevents the activation of the JAK/signal transducer and activator of transcription (STAT) signaling pathway and the activation of STAT3 and STAT5 as well as FLT3-mediated signaling. This may lead to an induction of apoptosis and a decrease in proliferation of tumor cells in which JAK2 and FLT3 are overexpressed. In addition, as JAK2 and FLT3 play a key role in the regulation of the inflammatory response and dendritic cell (DC) proliferation, differentiation and function, inhibition of JAK2- and FLT3-mediated signaling may suppress the generation and differentiation of DCs, and may regulate inflammatory and immune responses. JAK2, often upregulated or mutated in a variety of cancer cells, mediates STAT3 activation and plays a key role in tumor cell proliferation and survival. FLT3, a class III receptor tyrosine kinase (RTK), is overexpressed or mutated in most B-lineage neoplasms and in acute myeloid leukemias.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methylamino]ethanol;sulfuric acid
    2.1.2 InChI
    InChI=1S/C25H34FN7O.H2O4S/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34;1-5(2,3)4/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30);(H2,1,2,3,4)
    2.1.3 InChI Key
    IEZUCWOITIANPZ-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2568842-57-7

    2. Flonoltinib (sulfate)

    3. Orb2945907

    4. Ex-a6365

    5. Hy-130247c

    2.3 Create Date
    2022-06-21
    3 Chemical and Physical Properties
    Molecular Weight 565.7 g/mol
    Molecular Formula C25H36FN7O5S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area165
    Heavy Atom Count39
    Formal Charge0
    Complexity701
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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