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    Chemistry

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    Also known as: Sndx-5613, 2169919-21-3, Lz0m43nnf2, Sndx5613, Sndx-5613 free base, N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-n-propan-2-ylbenzamide
    Molecular Formula
    C32H47FN6O4S
    Molecular Weight
    630.8  g/mol
    InChI Key
    FRVSRBKUQZKTOW-UHFFFAOYSA-N
    FDA UNII
    LZ0M43NNF2
    Revumenib
    Revumenib is an orally bioavailable protein-protein interaction (PPI) inhibitor of the menin-mixed lineage leukemia (MLL; myeloid/lymphoid leukemia; KMT2A) proteins, with potential antineoplastic activity. Upon oral administration, revumenib targets and binds to the nuclear protein menin, thereby preventing 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 MLL-rearranged leukemic cells. The menin-MLL complex plays a key role in the survival, growth, transformation and proliferation of certain kinds of leukemia cells.
    1 2D Structure

    Revumenib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide
    2.1.2 InChI
    InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3
    2.1.3 InChI Key
    FRVSRBKUQZKTOW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC
    2.2 Other Identifiers
    2.2.1 UNII
    LZ0M43NNF2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sndx-5613

    2. 2169919-21-3

    3. Lz0m43nnf2

    4. Sndx5613

    5. Sndx-5613 Free Base

    6. N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-n-propan-2-ylbenzamide

    7. Sndx50613

    8. Benzamide, N-ethyl-2-((4-(7-((trans-4-((ethylsulfonyl)amino)cyclohexyl)methyl)-2,7-diazaspiro(3.5)non-2-yl)-5-pyrimidinyl)oxy)-5-fluoro-n-(1-methylethyl)-

    9. Sndx-50613

    10. Revumenib [inn]

    11. Unii-lz0m43nnf2

    12. Sndx5613 Free Base

    13. Sndx50613 Free Base

    14. Chembl4650827

    15. Schembl19693219

    16. Schembl19693428

    17. Gtpl11882

    18. Sndx-50613 Free Base

    19. Ex-a4343

    20. Nsc825775

    21. S8996

    22. Nsc-825775

    23. Ac-36885

    24. Hy-136175

    25. Cs-0120274

    26. N-ethyl-2-((4-(7-(((1r,4r)-4-(ethylsulfonamido)cyclohexyl)methyl)-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl)oxy)-5-fluoro-n-isopropylbenzamide

    2.4 Create Date
    2018-01-29
    3 Chemical and Physical Properties
    Molecular Weight 630.8 g/mol
    Molecular Formula C32H47FN6O4S
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass630.33635334 g/mol
    Monoisotopic Mass630.33635334 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity1040
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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