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    Sovilnesib

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Amg-650, 2410796-79-9, Amg 650 [who-dd], Op393m4h32, Benzamide, 2-(6-azaspiro(2.5)oct-6-yl)-n-(2-(4,4-difluoro-1-piperidinyl)-6-methyl-4-pyrimidinyl)-4-(((2-hydroxyethyl)sulfonyl)amino)-, Unii-op393m4h32
    Molecular Formula
    C26H34F2N6O4S
    Molecular Weight
    564.6  g/mol
    InChI Key
    KBDGEJDIHZDPHN-UHFFFAOYSA-N
    FDA UNII
    OP393M4H32
    Sovilnesib is an orally bioavailable, small-molecule inhibitor of the human kinesin-like protein KIF18A, with potential antineoplastic activity. Upon oral administration, sovilnesib selectively inhibits the activity of KIF18A. This may result in multipolar cell division and inhibit tumor cell proliferation. KIF18A, a mitotic kinesin-8 motor protein, plays an important role in the regulation of chromosome positioning during cell division and is overexpressed in certain cancers. Certain cancer cells with chromosomal instability (CIN) features depend on KIF18A activity for bipolar spindle integrity and cell proliferation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
    2.1.2 InChI
    InChI=1S/C26H34F2N6O4S/c1-18-16-22(31-24(29-18)34-12-8-26(27,28)9-13-34)30-23(36)20-3-2-19(32-39(37,38)15-14-35)17-21(20)33-10-6-25(4-5-25)7-11-33/h2-3,16-17,32,35H,4-15H2,1H3,(H,29,30,31,36)
    2.1.3 InChI Key
    KBDGEJDIHZDPHN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=NC(=N1)N2CCC(CC2)(F)F)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)CCO)N4CCC5(CC5)CC4
    2.2 Other Identifiers
    2.2.1 UNII
    OP393M4H32
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Amg-650

    2. 2410796-79-9

    3. Amg 650 [who-dd]

    4. Op393m4h32

    5. Benzamide, 2-(6-azaspiro(2.5)oct-6-yl)-n-(2-(4,4-difluoro-1-piperidinyl)-6-methyl-4-pyrimidinyl)-4-(((2-hydroxyethyl)sulfonyl)amino)-

    6. Unii-op393m4h32

    7. Chembl5084301

    8. Schembl22119383

    9. Us11236069, Example 4

    10. Bdbm535532

    11. Ex-a6760

    12. Us11236069, Example 15

    13. Nsc839866

    14. Nsc-839866

    15. Hy-132840

    16. Cs-0204143

    17. 2-(6-azaspiro[2.5]octan-6-yl)-n-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

    18. N-(2-(4,4-difluoropiperidin-1-yl)-6- Methylpyrimidin-4-yl)-4-((2- Hydroxyethyl)sulfonamido)-2-(6- Azaspiro[2.5]octan-6-yl)benzamide

    2.4 Create Date
    2020-08-12
    3 Chemical and Physical Properties
    Molecular Weight 564.6 g/mol
    Molecular Formula C26H34F2N6O4S
    XLogP33.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area136
    Heavy Atom Count39
    Formal Charge0
    Complexity958
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1