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    Fimepinostat

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Cudc-907, 1339928-25-4, Cudc 907, Cudc907, Pi3k/hdac inhibitor, Fimepinostat [usan]
    Molecular Formula
    C23H24N8O4S
    Molecular Weight
    508.6  g/mol
    InChI Key
    JOWXJLIFIIOYMS-UHFFFAOYSA-N
    FDA UNII
    3S9RX35S5X
    Fimepinostat is an orally bioavailable inhibitor of both phosphoinositide 3-kinase (PI3K) class I and pan histone deacetylase (HDAC) enzymes, with potential antineoplastic activity. Upon oral administration, fimepinostat inhibits the activity of both PI3K class I isoforms and HDAC, thereby preventing the activation of the PI3K-AKT-mTOR signal transduction pathway that is often overactivated in many cancer cell types. This may prevent growth of PI3K and/or HDAC-expressing tumor cells. CUDC-907 shows an increased inhibition of tumor cell growth and induction of apoptosis when compared to inhibitors that target either PI3K or HDAC.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
    2.1.2 InChI
    InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
    2.1.3 InChI Key
    JOWXJLIFIIOYMS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO
    2.2 Other Identifiers
    2.2.1 UNII
    3S9RX35S5X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cudc-907

    2.3.2 Depositor-Supplied Synonyms

    1. Cudc-907

    2. 1339928-25-4

    3. Cudc 907

    4. Cudc907

    5. Pi3k/hdac Inhibitor

    6. Fimepinostat [usan]

    7. N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide

    8. 3s9rx35s5x

    9. Chembl3622533

    10. N-hydroxy-2-(((2-(6-methoxypyridin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)(methyl)amino)pyrimidine-5-carboxamide

    11. N-hydroxy-2-[{[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino]pyrimidine-5-carboxamide

    12. Pi3k/hdac Inhibitor Centn

    13. Unii-3s9rx35s5x

    14. 5-pyrimidinecarboxamide, N-hydroxy-2-(((2-(6-methoxy-3-pyridinyl)-4-(4-morpholinyl)thieno(3,2-d)pyrimidin-6-yl)methyl)methylamino)-

    15. 5-pyrimidinecarboxamide, N-hydroxy-2-[[[2-(6-methoxy-3-pyridinyl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]methylamino]-

    16. N-hydroxy-2-(((2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidin-6-yl)methyl)(methyl)amino)pyrimidine-5-carboxamide

    17. Fimepinostat (usan/inn)

    18. Fimepinostat [inn]

    19. Fimepinostat (cudc-907)

    20. Mls006010994

    21. Fimepinostat [who-dd]

    22. Gtpl8952

    23. Schembl1284705

    24. Dtxsid90712307

    25. Ex-a742

    26. Hms3656h04

    27. Hms3673e03

    28. Bcp06870

    29. Bdbm50188961

    30. Mfcd22420823

    31. Nsc771751

    32. S2759

    33. Zinc73488511

    34. Akos026750340

    35. Ccg-269763

    36. Cs-1610

    37. Cudc-907 (pi3k/hdac Inhibitori)

    38. Db11891

    39. Nsc-771751

    40. Pi3k/hdac Inhibitor Cudc-907

    41. Sb16569

    42. Ncgc00346692-01

    43. Ncgc00346692-04

    44. Ncgc00346692-11

    45. Ac-30227

    46. As-57131

    47. Da-34958

    48. Hy-13522

    49. Smr004702794

    50. Db-057451

    51. Ft-0700168

    52. Sw219871-1

    53. D11319

    54. J-690133

    55. Q27076926

    2.4 Create Date
    2011-12-05
    3 Chemical and Physical Properties
    Molecular Weight 508.6 g/mol
    Molecular Formula C23H24N8O4S
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass508.16412245 g/mol
    Monoisotopic Mass508.16412245 g/mol
    Topological Polar Surface Area167 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity726
    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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