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    Eltanexor

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Kpt-8602, 1642300-52-4, Eltanexor [inn], Eltanexor [usan], Eltanexor [who-dd], (e)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide
    Molecular Formula
    C17H10F6N6O
    Molecular Weight
    428.29  g/mol
    InChI Key
    JFBAVWVBLRIWHM-AWNIVKPZSA-N
    FDA UNII
    Q59IQJ9NTK
    Eltanexor is an orally bioavailable inhibitor of exportin-1 (XPO1; chromosome region maintenance 1 protein homolog; CRM1), with potential antineoplastic activity. Upon administration, eltanexor binds to the XPO1 cargo binding site, which prevents the XPO1-mediated nuclear export of cargo proteins such as tumor suppressor proteins (TSPs), including p53, p73, BRCA1/2, pRB, FOXO, and other growth regulatory proteins and leads to their selective accumulation in the nuclei of tumor cells. As a selective inhibitor of nuclear export (SINE), KPT-8602 restores the nuclear localization and function of tumor suppressing proteins which leads to the induction of apoptosis in tumor cells. XPO1, the major export factor that transports proteins from the nucleus to the cytoplasm, is overexpressed in a variety of cancer cell types while minimally expressed in normal, healthy cells. The export of tumor suppressor proteins into the cytoplasm prevents them from initiating apoptosis and leads to uncontrolled tumor cell proliferation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide
    2.1.2 InChI
    InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+
    2.1.3 InChI Key
    JFBAVWVBLRIWHM-AWNIVKPZSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)C=C(C3=CN=CN=C3)C(=O)N
    2.1.5 Isomeric SMILES
    C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)/C=C(\C3=CN=CN=C3)/C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    Q59IQJ9NTK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (e)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-triazol-1-yl)-2-pyrimidin-5-ylprop-2-enamide

    2. Kpt-8602

    2.3.2 Depositor-Supplied Synonyms

    1. Kpt-8602

    2. 1642300-52-4

    3. Eltanexor [inn]

    4. Eltanexor [usan]

    5. Eltanexor [who-dd]

    6. (e)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide

    7. Q59iqj9ntk

    8. Kpt8602

    9. (e)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide

    10. (2e)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)prop-2-enamide

    11. Eltanexor (usan/inn)

    12. Eltanexor [usan:inn]

    13. Unii-q59iqj9ntk

    14. Kpt-8602; Eltanexor

    15. Chembl4297623

    16. Schembl16324809

    17. Gtpl10037

    18. Ex-a2433

    19. Nsc794443

    20. S8397

    21. Who 10496

    22. Ccg-268977

    23. Cs-5947

    24. Nsc-794443

    25. Ac-36070

    26. Bs-15585

    27. Hy-100423

    28. C73170

    29. D11499

    30. 5-pyrimidineacetamide, .alpha.-((3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)methylene)-, (.alpha.e)-

    31. 5-pyrimidineacetamide, Alpha-((3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)methylene)-, (alphae)-

    2.4 Create Date
    2015-01-12
    3 Chemical and Physical Properties
    Molecular Weight 428.29 g/mol
    Molecular Formula C17H10F6N6O
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass428.08202794 g/mol
    Monoisotopic Mass428.08202794 g/mol
    Topological Polar Surface Area99.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity626
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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