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    Ibezapolstat

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 10,389Xls

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    2D Structure
    Also known as: Acx-362e, 1275582-97-2, Ibezapolstat [usan], 5k543knc5p, 2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1h-purin-6-one, Ibezapolstat (usan)
    Molecular Formula
    C18H20Cl2N6O2
    Molecular Weight
    423.3  g/mol
    InChI Key
    DEGSGBKTODESHH-UHFFFAOYSA-N
    FDA UNII
    5K543KNC5P
    Ibezapolstat is under investigation in clinical trial NCT04247542 (ACX-362E [Ibezapolstat] for Oral Treatment of Clostridioides Difficile Infection).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one
    2.1.2 InChI
    InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)
    2.1.3 InChI Key
    DEGSGBKTODESHH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1CCN2C=NC3=C2C(=O)NC(=N3)NCC4=CC(=C(C=C4)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    5K543KNC5P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acx-362e

    2.3.2 Depositor-Supplied Synonyms

    1. Acx-362e

    2. 1275582-97-2

    3. Ibezapolstat [usan]

    4. 5k543knc5p

    5. 2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1h-purin-6-one

    6. Ibezapolstat (usan)

    7. 2-(((3,4-dichlorophenyl)methyl)amino)-1,7-dihydro-7-(2-(4-morpholinyl)ethyl)-6h-purin-6-one

    8. 6h-purin-6-one, 2-(((3,4-dichlorophenyl)methyl)amino)-1,7-dihydro-7-(2-(4-morpholinyl)ethyl)-

    9. Ibezapolstat [inn]

    10. Unii-5k543knc5p

    11. Acx362e

    12. Chembl4571518

    13. Schembl15908884

    14. Gtpl11030

    15. Glxc-25175

    16. Who 11365

    17. Hy-128357

    18. Cs-0099071

    19. D11791

    2.4 Create Date
    2019-01-21
    3 Chemical and Physical Properties
    Molecular Weight 423.3 g/mol
    Molecular Formula C18H20Cl2N6O2
    XLogP31.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass422.1024793 g/mol
    Monoisotopic Mass422.1024793 g/mol
    Topological Polar Surface Area83.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity588
    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 MeSH Pharmacological Classification

    Nucleic Acid Synthesis Inhibitors

    Compounds that inhibit cell production of DNA or RNA. (See all compounds classified as Nucleic Acid Synthesis Inhibitors.)