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    Chemistry

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    Also known as: T9gpe23kz9, Chembl6068506, 2135609-32-2, Decanoic acid, compd. with n-[(5r)-5-amino-6-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-6-oxohexyl]hexadecanamide (2:1)
    Molecular Formula
    C52H108N6O6
    Molecular Weight
    913.5  g/mol
    InChI Key
    PMQBHPUZUKOTJJ-ZHXNKHNVSA-N
    FDA UNII
    T9GPE23KZ9
    AMXT-1501 dicaprate
    Polyamine Transport Inhibitor AMXT-1501 Dicaprate is the dicaprate salt form of AMXT-1501, an orally bioavailable polyamine transport inhibitor, with immunostimulating and antineoplastic activities. Upon administration, AMXT-1501 targets, binds to and blocks polyamine transport from the bloodstream into the tumor microenvironment (TME), thereby preventing cancer cell uptake. This decreases polyamine concentrations inside the TME and tumor cell, inhibits tumor cell proliferation and induces apoptosis. In addition, AMXT-1501 may abrogate polyamine-mediated immune suppression in the TME. Polyamines, naturally found in normal, heathy cells, are required for normal cell growth and division. In cancer cells, polyamines play key roles in tumor cell proliferation and tumor-induced suppression of the patient's immune system.
    1 2D Structure

    AMXT-1501 dicaprate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(5R)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]hexadecanamide;bis(decanoic acid)
    2.1.2 InChI
    InChI=1S/C32H68N6O2.2C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31(39)37-28-16-15-21-30(34)32(40)38-29-20-27-36-25-18-17-24-35-26-19-23-33;2*1-2-3-4-5-6-7-8-9-10(11)12/h30,35-36H,2-29,33-34H2,1H3,(H,37,39)(H,38,40);2*2-9H2,1H3,(H,11,12)/t30-;;/m1../s1
    2.1.3 InChI Key
    PMQBHPUZUKOTJJ-ZHXNKHNVSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    T9GPE23KZ9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. T9gpe23kz9

    2. Chembl6068506

    3. 2135609-32-2

    4. Decanoic Acid, Compd. With N-[(5r)-5-amino-6-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-6-oxohexyl]hexadecanamide (2:1)

    2.4 Create Date
    2024-01-03
    3 Chemical and Physical Properties
    Molecular Weight 913.5 g/mol
    Molecular Formula C52H108N6O6
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count48
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area209
    Heavy Atom Count64
    Formal Charge0
    Complexity660
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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