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    Desidustat

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 19,850Xls

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    2D Structure
    Also known as: 1616690-16-4, Desidustat [inn], Zyan-1, Zyan1, Y962pqa4ks, 1,2-dihydroquinoline-3-carbonyl]glycine
    Molecular Formula
    C16H16N2O6
    Molecular Weight
    332.31  g/mol
    InChI Key
    IKRKQQLJYBAPQT-UHFFFAOYSA-N
    FDA UNII
    Y962PQA4KS
    Desidustat is an orally bioavailable, hypoxia-inducible factor prolyl hydroxylase (HIF-PH) inhibitor (HIF-PHI), with potential anti-anemic and anti-inflammatory activities. Upon administration, desidustat binds to and inhibits HIF-PH, an enzyme responsible for the degradation of transcription factors in the HIF family under normal oxygen conditions. This prevents HIF breakdown and promotes HIF activity. Increased HIF activity leads to an increase in endogenous erythropoietin production, thereby enhancing erythropoiesis. It also reduces the expression of the peptide hormone hepcidin, improves iron availability, and boosts hemoglobin (Hb) levels. HIF regulates the expression of genes in response to reduced oxygen levels, including genes required for erythropoiesis and iron metabolism. In addition, HIF 1-alpha (HIF1A) may play a role in reducing inflammation during acute lung injury (ALI) through HIF-dependent control of glucose metabolism in the alveolar epithelium.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
    2.1.2 InChI
    InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)
    2.1.3 InChI Key
    IKRKQQLJYBAPQT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1CON2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Y962PQA4KS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic Acid

    2. Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl)-

    3. N-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine

    4. Zyan1 Compound

    2.3.2 Depositor-Supplied Synonyms

    1. 1616690-16-4

    2. Desidustat [inn]

    3. Zyan-1

    4. Zyan1

    5. Y962pqa4ks

    6. 1,2-dihydroquinoline-3-carbonyl]glycine

    7. N-[1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-

    8. 2-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic Acid

    9. Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl)-

    10. N-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine

    11. Zyan1 Compound

    12. Unii-y962pqa4ks

    13. Desidustat [who-dd]

    14. Chembl4650314

    15. Schembl15846922

    16. Dtxsid901337362

    17. Bcp29692

    18. Ex-a2999

    19. S9699

    20. Zb1514

    21. Akos037515648

    22. Cs-8034

    23. Ac-36284

    24. Bs-16050

    25. Hy-103227

    26. A16921

    27. D80699

    28. (1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine

    29. 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic Acid

    2.4 Create Date
    2014-07-14
    3 Chemical and Physical Properties
    Molecular Weight 332.31 g/mol
    Molecular Formula C16H16N2O6
    XLogP31.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass332.10083623 g/mol
    Monoisotopic Mass332.10083623 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity583
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Mechanism of Action

    The small molecule hypoxia-inducible factor, desidustat, inhibits the prolyl hydrozylase and stimulates erythropoiesis. It is currently being investigated against anemia of inflammation and COVID-19.