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    2D Structure
    Also known as: Sel24-b489, Sel-24 free base, 9m7x64vtli, Sel24-b289, 1616359-00-2, 1h-benzimidazole, 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-
    Molecular Formula
    C15H18Br2N4O2
    Molecular Weight
    446.14  g/mol
    InChI Key
    UOUBCIJIWDLRGM-UHFFFAOYSA-N
    FDA UNII
    9M7X64VTLI
    PIM/FLT3 Kinase Inhibitor SEL24 is an orally available inhibitor of PIM family serine/threonine protein kinases and mutant forms of FMS-related tyrosine kinase 3 (FLT3; STK1) with potential antineoplastic activity. PIM/FLT3 kinase inhibitor SEL24 binds to and inhibits the kinase activities of PIM-1, -2 and -3, and mutant forms of FLT3, which may result in the interruption of the G1/S phase cell cycle transition, an inhibition of cell proliferation, and an induction of apoptosis in tumor cells that overexpress PIMs or express mutant forms of FLT3. FLT3, a tyrosine kinase receptor that is overexpressed or mutated in various cancers, plays a role in signaling pathways that regulate hematopoietic progenitor cell proliferation, and in leukemic cell proliferation and survival. PIM kinases, downstream effectors of many cytokine and growth factor signaling pathways, including the FLT3 signaling pathway, play key roles in cell cycle progression and apoptosis inhibition and may be overexpressed in various malignancies.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6-dibromo-4-nitro-2-piperidin-4-yl-1-propan-2-ylbenzimidazole
    2.1.2 InChI
    InChI=1S/C15H18Br2N4O2/c1-8(2)20-11-7-10(16)12(17)14(21(22)23)13(11)19-15(20)9-3-5-18-6-4-9/h7-9,18H,3-6H2,1-2H3
    2.1.3 InChI Key
    UOUBCIJIWDLRGM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N1C2=CC(=C(C(=C2N=C1C3CCNCC3)[N+](=O)[O-])Br)Br
    2.2 Other Identifiers
    2.2.1 UNII
    9M7X64VTLI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sel24-b489

    2. Sel-24 Free Base

    3. 9m7x64vtli

    4. Sel24-b289

    5. 1616359-00-2

    6. 1h-benzimidazole, 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-

    7. 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-1h-benzimidazole

    8. 5,6-dibromo-4-nitro-2-(piperidin-4-yl)-1-(propan-2-yl)-1h-1,3-benzimidazole

    9. Unii-9m7x64vtli

    10. Chembl4467168

    11. Schembl15826208

    12. Hy-120758

    13. Cs-0079085

    2.4 Create Date
    2014-07-28
    3 Chemical and Physical Properties
    Molecular Weight 446.14 g/mol
    Molecular Formula C15H18Br2N4O2
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass445.97760 g/mol
    Monoisotopic Mass443.97965 g/mol
    Topological Polar Surface Area75.7 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity442
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1