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    Technical details about Napabucasin, learn more about the structure, uses, toxicity, action, side effects and more

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    Napabucasin

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    2D Structure
    1. Also known as: 83280-65-3, 2-acetylfuro-1,4-naphthoquinone, Bbi608, 2-acetylnaphtho[2,3-b]furan-4,9-dione, 2-acetylbenzo[f][1]benzofuran-4,9-dione, Bbi-608
    Molecular Formula
    C14H8O4
    Molecular Weight
    240.21  g/mol
    InChI Key
    DPHUWDIXHNQOSY-UHFFFAOYSA-N
    FDA UNII
    Z1HHM49K7O
    Napabucasin is an orally available cancer cell stemness inhibitor with potential antineoplastic activity. Even though the exact target has yet to be fully elucidated, napabucasin appears to target and inhibit multiple pathways involved in cancer cell stemness. This may ultimately inhibit cancer stemness cell (CSC) growth as well as heterogeneous cancer cell growth. CSCs, self-replicating cells that are able to differentiate into heterogeneous cancer cells, appear to be responsible for the malignant growth, recurrence and resistance to conventional chemotherapies.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-acetylbenzo[f][1]benzofuran-4,9-dione
    2.1.2 InChI
    InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
    2.1.3 InChI Key
    DPHUWDIXHNQOSY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
    2.2 Other Identifiers
    2.2.1 UNII
    Z1HHM49K7O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bb608 Compound

    2. Bbi608

    2.3.2 Depositor-Supplied Synonyms

    1. 83280-65-3

    2. 2-acetylfuro-1,4-naphthoquinone

    3. Bbi608

    4. 2-acetylnaphtho[2,3-b]furan-4,9-dione

    5. 2-acetylbenzo[f][1]benzofuran-4,9-dione

    6. Bbi-608

    7. Napabucasin (bbi608)

    8. 2-acetylfuranonaphthoquinone

    9. Z1hhm49k7o

    10. 2-acetylnaphtho(2,3-b)furan-4,9-dione

    11. Bbi 608

    12. 2-acetyl-4h,9h-naphtho[2,3-b]furan-4,9-dione

    13. Napabucasin [usan:inn]

    14. Unii-z1hhm49k7o

    15. Fnq

    16. Napabucasin; Bbi608

    17. Napabucasin [inn]

    18. Napabucasin [jan]

    19. Napabucasin [usan]

    20. Napabucasin [who-dd]

    21. Chembl64130

    22. Napabucasin (jan/usan/inn)

    23. Schembl1883845

    24. Gtpl11358

    25. Amy27812

    26. Bcp07628

    27. Ex-a1314

    28. Bdbm50366597

    29. Mfcd28155270

    30. Nsc788900

    31. Nsc816092

    32. S7977

    33. Zinc13306865

    34. Akos027470201

    35. Ccg-266871

    36. Cs-1747

    37. Db12155

    38. Nsc-788900

    39. Nsc-816092

    40. 2-acetyl Naphtho2,3-bfuran-4,9-dione

    41. Ac-32935

    42. As-60519

    43. Hy-13919

    44. 2-acetyl-naphtho[2,3-b]furan-4,9-dione

    45. A13474

    46. D10717

    47. F17379

    48. Naphtho(2,3-b)furan-4,9-dione, 2-acetyl-

    49. Q27294876

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 240.21 g/mol
    Molecular Formula C14H8O4
    XLogP32.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass240.04225873 g/mol
    Monoisotopic Mass240.04225873 g/mol
    Topological Polar Surface Area64.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity414
    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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