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    Technical details about PXS-5505, learn more about the structure, uses, toxicity, action, side effects and more

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    PXS-5505

    DEVELOPMENTS

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Pxs-5505, 2409963-83-1, Do94e28wyw, 2-buten-1-amine, 3-fluoro-4-(8-quinolinylsulfonyl)-, (2z)-, Unii-do94e28wyw, Schembl21693445
    Molecular Formula
    C13H13FN2O2S
    Molecular Weight
    280.32  g/mol
    InChI Key
    DHXXLGDTPFPYRH-WDZFZDKYSA-N
    FDA UNII
    DO94E28WYW
    Pan-LOX Inhibitor PXS-5505 is an orally available, small-molecule, irreversible inhibitor of all lysyl oxidases (LOX) family members, with potential antifibrotic activity. Upon oral administration, pan-LOX inhibitor PXS-5505 targets, binds to and inhibits the activity of all enzymes in the LOX family. This prevents the post-translational oxidative deamination of lysine residues on target proteins, including collagen and elastin, and reduces the formation of deaminated lysine (allysine), the formation of inter- and intramolecular cross-linkages and may prevent remodeling of the extracellular matrix (ECM), thereby reducing fibrotic tissue formation in certain chronic fibrotic diseases. LOX is often upregulated in fibrotic tissue and plays a key role in fibrosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine
    2.1.2 InChI
    InChI=1S/C13H13FN2O2S/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12/h1-6,8H,7,9,15H2/b11-6-
    2.1.3 InChI Key
    DHXXLGDTPFPYRH-WDZFZDKYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)S(=O)(=O)CC(=CCN)F)N=CC=C2
    2.1.5 Isomeric SMILES
    C1=CC2=C(C(=C1)S(=O)(=O)C/C(=C/CN)/F)N=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    DO94E28WYW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pxs-5505

    2. 2409963-83-1

    3. Do94e28wyw

    4. 2-buten-1-amine, 3-fluoro-4-(8-quinolinylsulfonyl)-, (2z)-

    5. Unii-do94e28wyw

    6. Schembl21693445

    7. Glxc-25899

    8. Dwn63831

    9. Ex-a4912

    10. Hy-138625

    11. Cs-0159641

    12. (z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine

    13. (z)-3-fluoro-4-(quinolin-8-ylsulfonyl)but-2-en-1-amine

    2.4 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 280.32 g/mol
    Molecular Formula C13H13FN2O2S
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass280.06817700 g/mol
    Monoisotopic Mass280.06817700 g/mol
    Topological Polar Surface Area81.4 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity430
    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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