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    Chemistry

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    Also known as: 841301-32-4, Asp 2151, Asp2151, Amenamevir [inn], Asp-2151, 94x46kw4ae
    Molecular Formula
    C24H26N4O5S
    Molecular Weight
    482.6  g/mol
    InChI Key
    MNHNIVNAFBSLLX-UHFFFAOYSA-N
    FDA UNII
    94X46KW4AE
    Amenamevir
    Amenamevir is a novel helicase-primase inhibitor that is active against varicella-zoster virus and herpes simplex virus types 1 and 2. Amenamenir stabilizes the interaction between the helicase-primase and its DNA substrates, preventing the progression through helicase or primase catalytic cycles, thus interfering with viral DNA replication and viral growth.
    1 2D Structure

    Amenamevir

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2,6-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
    2.1.2 InChI
    InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)
    2.1.3 InChI Key
    MNHNIVNAFBSLLX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4
    2.2 Other Identifiers
    2.2.1 UNII
    94X46KW4AE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Asp2151

    2.3.2 Depositor-Supplied Synonyms

    1. 841301-32-4

    2. Asp 2151

    3. Asp2151

    4. Amenamevir [inn]

    5. Asp-2151

    6. 94x46kw4ae

    7. N-(2-((4-(1,2,4-oxadiazol-3-yl)phenyl)amino)-2-oxoethyl)-n-(2,6-dimethylphenyl)tetrahydro-2h-thiopyran-4-carboxamide 1,1-dioxide

    8. N-(2,6-dimethylphenyl)-n-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide

    9. Unii-94x46kw4ae

    10. Amenalief (tn)

    11. Amenamevir [mi]

    12. Amenamevir (jan/inn)

    13. Amenamevir [jan]

    14. Amenamevir [who-dd]

    15. Schembl2238614

    16. Chembl4297592

    17. Dtxsid101027753

    18. Bcp29135

    19. Ex-a1700

    20. S5552

    21. Ccg-269570

    22. Cs-8093

    23. Db11701

    24. Sb19732

    25. Ncgc00538163-01

    26. Ac-35855

    27. Bs-17608

    28. Hy-14809

    29. D10564

    30. D84108

    31. Q27271708

    32. 2-[n-(2,6-dimethylphenyl)-n-[(tetrahydro-2h-thiopyran 1,1-dioxide)-4-ylcarbonyl]amino]-4'-(1,2,4-oxadiazole-3-yl)acetoanilide

    33. N-(2,6-dimethylphenyl)-n-(2-((4-(1,2,4-oxadiazol-3-yl)phenyl)amino)-2-oxoethyl)-1,1-dioxothiane-4-carboxamide

    34. N-(2,6-dimethylphenyl)-n-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2h-thiopyran-4-carboxamide 1,1-dioxide

    35. N-(2,6-dimethylphenyl)-n-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxo-ethyl]-1,1-dioxo-thiane-4-carboxamide

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 482.6 g/mol
    Molecular Formula C24H26N4O5S
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass482.16239112 g/mol
    Monoisotopic Mass482.16239112 g/mol
    Topological Polar Surface Area131 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity800
    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 ATC Code

    J - Antiinfectives for systemic use

    J05 - Antivirals for systemic use

    J05A - Direct acting antivirals

    J05AX - Other antivirals

    J05AX26 - Amenamevir

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