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    Linperlisib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1702816-75-8, Pi3kdelta-in-2, Pi3k(delta)-in-2, 05hyk3cv9n, Yy-20394, Pi3k
    Molecular Formula
    C28H37FN6O5S
    Molecular Weight
    588.7  g/mol
    InChI Key
    NVWKNQGHVMMAJW-UHFFFAOYSA-N
    FDA UNII
    05HYK3CV9N
    Linperlisib is an orally available selective inhibitor of the delta form of phosphatidylinositol 3-kinase (PI3-kinase subunit delta; PI3K-delta; PI3Kdelta), with potential antineoplastic activity. Upon oral administration linperlisib selectively binds to and inhibits PI3K-delta and prevents the activation of the PI3K/AKT signaling pathway. This decreases proliferation of and induces cell death in PI3K-delta over-expressing tumor cells. PI3K-delta also plays a key role in the B-cell receptor (BCR) signaling pathway and the proliferation of certain hematologic cancer cells. The targeted inhibition of PI3K-delta is designed to preserve PI3K signaling in normal, non-neoplastic cells, thereby minimizing serious side effects.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
    2.1.2 InChI
    InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3
    2.1.3 InChI Key
    NVWKNQGHVMMAJW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1CCN(CC1)CC2=C3C(=CC(=C2)F)C(=NC(=N3)N4CCOCC4)C5=CC(=C(N=C5)OC)NS(=O)(=O)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    05HYK3CV9N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1702816-75-8

    2. Pi3kdelta-in-2

    3. Pi3k(delta)-in-2

    4. 05hyk3cv9n

    5. Yy-20394

    6. Pi3k

    7. A-in-2

    8. N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide

    9. Methanesulfonamide, N-(5-(6-fluoro-8-((4-(1-hydroxy-1-methylethyl)-1-piperidinyl)methyl)-2-(4-morpholinyl)-4-quinazolinyl)-2-methoxy-3-pyridinyl)-

    10. N-(5-(6-fluoro-8-((4-(2-hydroxypropan-2-yl) Piperidin-1-yl)methyl)-2-morpholinoquinazolin-4-yl)-2-methoxypyridin-3-)methanesulfonamide

    11. Linperlisib [inn]

    12. Pi3kd-in-2

    13. Pi3ko-in-2

    14. Unii-05hyk3cv9n

    15. Pi3k.delta.-in-2

    16. Linperlisib [who-dd]

    17. Pi3k -in-2

    18. Chembl4574601

    19. Schembl18032489

    20. Gtpl10466

    21. Us9656996, Compound 10

    22. Bdbm309960

    23. Bcp20830

    24. Ctc81675

    25. Ex-a1436

    26. Pi3k(c)(1/2)-in-2

    27. Cs-6973

    28. Yy20394

    29. Compound 10 [us20160244432]

    30. Yy-20394; Pi3k

    31. A-in-2

    32. Ac-35638

    33. Hy-102031

    34. N-[5-[6-fluoro-8-[[4-(1-hydroxy-1-methylethyl)-1-piperidinyl]methyl]-2-(4-morpholinyl)-4-quinazolinyl]-2-methoxy-3-pyridinyl]-methanesulfonamide

    2.4 Create Date
    2015-05-04
    3 Chemical and Physical Properties
    Molecular Weight 588.7 g/mol
    Molecular Formula C28H37FN6O5S
    XLogP32.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass588.25301764 g/mol
    Monoisotopic Mass588.25301764 g/mol
    Topological Polar Surface Area138 Ų
    Heavy Atom Count41
    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