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    Bleximenib

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2654081-35-1, Dcn5wen78t, N-ethyl-5-fluoro-2-[[5-[2-[(3r)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-n-propan-2-ylbenzamide, N-ethyl-5-fluoro-2-((5-(2-((3r)-6-(2-methoxyethyl(methyl)amino)-2-methylhexan-3-yl)-2,7-diazaspiro(3.4)octan-7-yl)-1,2,4-triazin-6-yl)oxy)-n-propan-2-ylbenzamide, Refchem:1080046, Menin-mll inhibitor 24
    Molecular Formula
    C32H50FN7O3
    Molecular Weight
    599.8  g/mol
    InChI Key
    PDUGAXSIWNMIBQ-HHHXNRCGSA-N
    FDA UNII
    DCN5WEN78T
    Bleximenib is an orally bioavailable protein-protein interaction (PPI) inhibitor of the menin-mixed lineage leukemia (MLL; mixed-lineage leukemia 1; MLL1; myeloid/lymphoid leukemia; histone-lysine N-methyltransferase 2A; KMT2A) proteins, with potential antineoplastic activity. Upon oral administration, bleximenib inhibits the interaction between the two proteins menin and MLL and the formation of the menin-MLL complex. This reduces the expression of downstream target genes and results in an inhibition of the proliferation of leukemic cells with either KMT2A alterations such as gene rearrangements (KMT2A-r), duplications, and amplification, or nucleophosmin 1 gene (NPM1) alterations. The menin-MLL complex plays a key role in the survival, growth, transformation and proliferation of certain kinds of leukemia cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
    2.1.2 InChI
    InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1
    2.1.3 InChI Key
    PDUGAXSIWNMIBQ-HHHXNRCGSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    DCN5WEN78T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2654081-35-1

    2. Dcn5wen78t

    3. N-ethyl-5-fluoro-2-[[5-[2-[(3r)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-n-propan-2-ylbenzamide

    4. N-ethyl-5-fluoro-2-((5-(2-((3r)-6-(2-methoxyethyl(methyl)amino)-2-methylhexan-3-yl)-2,7-diazaspiro(3.4)octan-7-yl)-1,2,4-triazin-6-yl)oxy)-n-propan-2-ylbenzamide

    5. Refchem:1080046

    6. Menin-mll Inhibitor 24

    7. Bleximenib [inn]

    8. Chembl5314509

    9. Schembl23529638

    10. Schembl30128634

    11. Ex-a8746a

    12. Gtpl12866

    13. Bdbm689589

    14. Bdbm689590

    15. Compound A [wo2022237720]

    16. Us20240261292, Compound A1

    17. Us20240261292, Compound A3

    18. Jnj75276617

    19. Da-55335

    20. Jnj-75276617

    21. Hy-148669

    22. Cs-0636752

    23. Benzamide, N-ethyl-5-fluoro-2-[[5-[2-[(1r)-4-[(2-methoxyethyl)methylamino]-1-(1-methylethyl)butyl]-2,6-diazaspiro[3.4]oct-6-yl]-1,2,4-triazin-6-yl]oxy]-n-(1-methylethyl)-

    24. N-ethyl-5-fluoro-2-{[5-(2-{(3r)-6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl}-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]oxy}-n-(propan-2-yl)benzamide

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 599.8 g/mol
    Molecular Formula C32H50FN7O3
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count15
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area87.2
    Heavy Atom Count43
    Formal Charge0
    Complexity861
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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