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    AUM001

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    2D Structure
    Also known as: Etc-206, 1464151-33-4, Mnd3wx2r7i, Aum001, Aum-001, Etc1907206
    Molecular Formula
    C25H20N4O2
    Molecular Weight
    408.5  g/mol
    InChI Key
    FWRFPHJSGLYXTD-UHFFFAOYSA-N
    FDA UNII
    MND3WX2R7I
    MNK1/2 Inhibitor ETC-1907206 is a selective mitogen-activated protein kinase (MAPK)-interacting protein kinase (MNK) types 1/2 inhibitor with potential antineoplastic activity. Upon administration, MNK1/2 inhibitor ETC-1907206 may inhibit MNK1/2-dependent phosphorylation of eukaryotic initiation factor 4E (eIF4E) and interfere with its role in mRNA translation. eIF4E is an oncoprotein that must be phosphorylated before it can promote the proliferation and progression of tumor cells. MNKs are a family of serine/threonine kinases that have been implicated in oncogenic transformation and tumor progression.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
    2.1.2 InChI
    InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
    2.1.3 InChI Key
    FWRFPHJSGLYXTD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3
    2.2 Other Identifiers
    2.2.1 UNII
    MND3WX2R7I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Etc-206

    2. 1464151-33-4

    3. Mnd3wx2r7i

    4. Aum001

    5. Aum-001

    6. Etc1907206

    7. 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

    8. Benzonitrile, 4-(6-(4-(4-morpholinylcarbonyl)phenyl)imidazo(1,2-a)pyridin-3-yl)-

    9. Unii-mnd3wx2r7i

    10. Etc206

    11. Chembl4211649

    12. Schembl15288605

    13. Us9908886, Example 96

    14. Bdbm375544

    15. Bcp30906

    16. Ex-a4504

    17. Mfcd31692387

    18. S6658

    19. Etc-206 (aum 001)

    20. Hy-112424

    21. Cs-0046041

    22. Etc 206; Etc206;etc-1907206

    2.4 Create Date
    2013-11-04
    3 Chemical and Physical Properties
    Molecular Weight 408.5 g/mol
    Molecular Formula C25H20N4O2
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass408.15862589 g/mol
    Monoisotopic Mass408.15862589 g/mol
    Topological Polar Surface Area70.6 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity668
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1