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    TAS 117

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    2D Structure
    Also known as: Tas-117, Tas 117, Qi52w1ziib, 1402602-94-1, 3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol, Cyclobutanol, 3-amino-1-methyl-3-(4-(3-phenyl-5h-imidazo(1,2-c)pyrido(3,4-e)(1,3)oxazin-2-yl)phenyl)-, trans-
    Molecular Formula
    C26H24N4O2
    Molecular Weight
    424.5  g/mol
    InChI Key
    AIFGVDXMHWGOGJ-UHFFFAOYSA-N
    FDA UNII
    QI52W1ZIIB
    Akt Inhibitor TAS-117 is an orally bioavailable allosteric and selective pan-inhibitor of the serine/threonine protein kinase Akt (protein kinase B; v-akt murine thymoma viral oncogene homolog 1), with potential antineoplastic activity. Upon oral administration, Akt inhibitor TAS-117 targets, binds to and inhibits the activity of Akt, which may result in the inhibition of the phosphatidylinositol 3-kinase (PI3K)/Akt-mediated signaling. This may inhibit proliferation and induce apoptosis of tumor cells in which Akt is overexpressed. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis and dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol
    2.1.2 InChI
    InChI=1S/C26H24N4O2/c1-25(31)14-26(27,15-25)19-9-7-17(8-10-19)22-23(18-5-3-2-4-6-18)30-16-32-21-11-12-28-13-20(21)24(30)29-22/h2-13,31H,14-16,27H2,1H3
    2.1.3 InChI Key
    AIFGVDXMHWGOGJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CC(C1)(C2=CC=C(C=C2)C3=C(N4COC5=C(C4=N3)C=NC=C5)C6=CC=CC=C6)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    QI52W1ZIIB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-amino-1-methyl-3-(4-(3-phenyl-5h- Imidazo(1,2-c)pyrido(3,4-e)(1,3)oxazin-2-yl)phenyl)cyclobutanol

    2. Tas-117

    2.3.2 Depositor-Supplied Synonyms

    1. Tas-117

    2. Tas 117

    3. Qi52w1ziib

    4. 1402602-94-1

    5. 3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol

    6. Cyclobutanol, 3-amino-1-methyl-3-(4-(3-phenyl-5h-imidazo(1,2-c)pyrido(3,4-e)(1,3)oxazin-2-yl)phenyl)-, Trans-

    7. Trans-3-amino-1-methyl-3-(4-(3-phenyl-5h-imidazo(1,2-c)pyrido(3,4-e)(1,3)oxazin-2-yl)phenyl)cyclobutanol

    8. Pifusertib

    9. Tas117

    10. Chembl3701747

    11. Chembl4297329

    12. Schembl15401131

    13. Schembl15401132

    14. Schembl17473607

    15. Tas 117 [who-dd]

    16. Gtpl12084

    17. Bdbm126588

    18. Db15054

    19. Sb17256

    20. Hy-19934

    21. Cs-0016925

    22. J3.460.963b

    23. Us8772283, 32

    2.4 Create Date
    2012-11-05
    3 Chemical and Physical Properties
    Molecular Weight 424.5 g/mol
    Molecular Formula C26H24N4O2
    XLogP32.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass424.18992602 g/mol
    Monoisotopic Mass424.18992602 g/mol
    Topological Polar Surface Area86.2 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity669
    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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