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    Kat6-IN-1

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    2D Structure
    Also known as: 2569008-99-5, Prifetrastat, Pf-07248144, Prifetrastat (usan), Prifetrastat [usan], Prifetrastat [inn]
    Molecular Formula
    C19H18N4O5S
    Molecular Weight
    414.4  g/mol
    InChI Key
    RCBWSTJGOASLEO-UHFFFAOYSA-N
    FDA UNII
    GN6DU4ZE30
    Prifetrastat is an inhibitor of MYST histone acetyltransferase (HAT) KAT6, with potential antineoplastic activity. Upon administration, prifetrastat targets and binds to KAT6, and inhibits the acetylation of histones and other nonhistone substrates. This may disrupt gene expression and inhibit the proliferation of tumors that overexpress KAT6. KAT6A (MOZ; MYST3) and KAT6B (MORF; MOZ2; MYST4), commonly amplified genes in solid tumors, play key roles in cell cycle regulation and in tumorigenesis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
    2.1.2 InChI
    InChI=1S/C19H18N4O5S/c1-26-14-6-3-4-7-17(14)29(24,25)22-19-18-15(27-2)10-13(11-16(18)28-21-19)12-23-9-5-8-20-23/h3-11H,12H2,1-2H3,(H,21,22)
    2.1.3 InChI Key
    RCBWSTJGOASLEO-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    GN6DU4ZE30
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2569008-99-5

    2. Prifetrastat

    3. Pf-07248144

    4. Prifetrastat (usan)

    5. Prifetrastat [usan]

    6. Prifetrastat [inn]

    7. Gn6du4ze30

    8. Orb1982278

    9. Chembl6068620

    10. Schembl22802427

    11. Schembl29490368

    12. Gtpl14088

    13. Bdbm730788

    14. Ex-a9009

    15. 2-methoxy-n-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide

    16. Example 34 [wo2020254946]

    17. Hy-153444

    18. Cs-0775007

    19. Pf07248144

    20. D12983

    21. H41429

    22. Us20250122182, Example 45, Wo2020/254946

    23. 2-methoxy-n-[4-methoxy-6-(1h-pyrazol-1-ylmethyl)-1,2-benzisoxazol-3-yl]benzenesulfonamide

    24. N-(6-((1h-pyrazol-1-yl)methyl)-4-methoxybenzo[d]isoxazol-3-yl)-2-methoxybenzenesulfonamide

    25. 2-methoxy-n-{4-methoxy-6-[(1h-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide

    26. Benzenesulfonamide, 2-methoxy-n-[4-methoxy-6-(1h-pyrazol-1-ylmethyl)-1,2-benzisoxazol-3-yl]-

    2.4 Create Date
    2021-01-30
    3 Chemical and Physical Properties
    Molecular Weight 414.4 g/mol
    Molecular Formula C19H18N4O5S
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area117
    Heavy Atom Count29
    Formal Charge0
    Complexity645
    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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