Please Wait
Applying Filters...
menu
    • menu
    Farmak works in the development, production and marketing of APIs, Intermediates & Specialties// FDA inspected.

    Virtual Booth

    Contact Supplier

    Evonik

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2025-04-21

    Virtual Booth

    Contact Supplier

    Quotient Sciences- Molecule to Cure. Fast.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    jdmfs-not-supported-m-2025-04-28

    Virtual Booth

    An Enquiry

    Menu

    Ziresovir

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 1422500-60-4, Ak0529, Ziresovir [inn], Ro-0529, Ak-0529, Xcf42d7ag4
    Molecular Formula
    C22H25N5O3S
    Molecular Weight
    439.5  g/mol
    InChI Key
    GAAICKUTDBZCMT-UHFFFAOYSA-N
    FDA UNII
    XCF42D7AG4
    Ziresovir is under investigation in clinical trial NCT03699202 (Anti-RSV Study in Chinese Patients (ASCENT)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-16,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine
    2.1.2 InChI
    InChI=1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,25,26)
    2.1.3 InChI Key
    GAAICKUTDBZCMT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(C=C1)N=C(N=C2NCC3(COC3)N)N4CCS(=O)(=O)C5=CC=CC=C5C4
    2.2 Other Identifiers
    2.2.1 UNII
    XCF42D7AG4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ak-0529

    2. Ak0529

    3. N-((3-aminooxetan-3-yl)methyl)-2-(1,1-dioxo-3,5-dihydro-2h-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine

    4. Ro-0529

    5. Ro0529

    2.3.2 Depositor-Supplied Synonyms

    1. 1422500-60-4

    2. Ak0529

    3. Ziresovir [inn]

    4. Ro-0529

    5. Ak-0529

    6. Xcf42d7ag4

    7. Chembl4468815

    8. 4-(4-(((3-aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide

    9. 4-quinazolinamine, N-((3-amino-3-oxetanyl)methyl)-2-(2,3-dihydro-1,1-dioxido-1,4-benzothiazepin-4(5h)-yl)-6-methyl-

    10. N-((3-amino-3-oxetanyl)methyl)-2-(2,3-dihydro-1,1-dioxido-1,4-benzothiazepin-4(5h)-yl)-6-methyl-4-quinazolinamine

    11. N-((3-aminooxetan-3-yl)methyl)-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5h)-yl)-6-methylquinazolin-4-amine

    12. N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2h-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine

    13. N-((3-aminooxetan-3-yl)methyl)-2-(1,1-dioxo-3,5-dihydro-2h-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine

    14. N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5h)-yl)-6-methylquinazolin-4-amine

    15. Unii-xcf42d7ag4

    16. Ziresovir [who-dd]

    17. Schembl14704847

    18. Dtxsid901028129

    19. Bdbm50516304

    20. Db15145

    21. Az171068

    22. Hy-109142

    23. Cs-0086934

    24. A937667

    25. 4-(4-(((3-aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydro-1h-1.lambda.6,4-benzothiazepine-1,1-dione

    26. 4-(4-(((3-aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydro-1h-1lambda6,4-benzothiazepine-1,1-dione

    27. 4-(4-(((3-aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine1,1-dioxide

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 439.5 g/mol
    Molecular Formula C22H25N5O3S
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass439.16781085 g/mol
    Monoisotopic Mass439.16781085 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity740
    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

    Antiviral Agents

    Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)