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    Apricoxib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 197904-84-0, Tg01, Cs-706, Tg-01, R-109339, 5x5hb3vz3z
    Molecular Formula
    C19H20N2O3S
    Molecular Weight
    356.4  g/mol
    InChI Key
    JTMITOKKUMVWRT-UHFFFAOYSA-N
    FDA UNII
    5X5HB3VZ3Z
    Apricoxib is an orally bioavailable nonsteroidal anti-inflammatory agent (NSAID) with potential antiangiogenic and antineoplastic activities. Apricoxib binds to and inhibits the enzyme cyclooxygenase-2 (COX-2), thereby inhibiting the conversion of arachidonic acid into prostaglandins. Apricoxib-mediated inhibition of COX-2 may induce tumor cell apoptosis and inhibit tumor cell proliferation and tumor angiogenesis. COX-related metabolic pathways may represent crucial regulators of cellular proliferation and angiogenesis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-(4-ethoxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide
    2.1.2 InChI
    InChI=1S/C19H20N2O3S/c1-3-24-17-8-4-15(5-9-17)19-12-14(2)13-21(19)16-6-10-18(11-7-16)25(20,22)23/h4-13H,3H2,1-2H3,(H2,20,22,23)
    2.1.3 InChI Key
    JTMITOKKUMVWRT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)C2=CC(=CN2C3=CC=C(C=C3)S(=O)(=O)N)C
    2.2 Other Identifiers
    2.2.1 UNII
    5X5HB3VZ3Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-ethoxyphenyl)-4-methyl 1-(4-sulfamoylphenyl)-1h-pyrrole

    2. Cs 706

    3. Cs-706

    4. Cs706 Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 197904-84-0

    2. Tg01

    3. Cs-706

    4. Tg-01

    5. R-109339

    6. 5x5hb3vz3z

    7. 4-[2-(4-ethoxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide

    8. 4-(2-(4-ethoxyphenyl)-4-methyl-1h-pyrrol-1-yl)benzenesulfonamide

    9. Cs 706; R 109339; Tg 01

    10. Benzenesulfonamide, 4-(2-(4-ethoxyphenyl)-4-methyl-1h-pyrrol-1-yl)-

    11. Apricoxib [usan]

    12. Apricoxib [usan:inn]

    13. Unii-5x5hb3vz3z

    14. Capoxigem

    15. Kymena

    16. Tg 01

    17. Cs 706

    18. Apricoxib [inn]

    19. Apricoxib (usan/inn)

    20. Cs706 Cpd

    21. Apricoxib [who-dd]

    22. Schembl346028

    23. R 109339

    24. Chembl1835207

    25. Dtxsid60173502

    26. Cs701

    27. Db12378

    28. Tp-1001

    29. Tp-2001

    30. D08657

    31. Q18209480

    32. 2-(4-ethoxyphenyl)-4-methyl-1-(4-sulfamoylphenyl)pyrrole

    33. 4-methyl-2-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrrole

    34. 2-(4-ethoxyphenyl)-4-methyl 1-(4-sulfamoylphenyl)-1h-pyrrole

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 356.4 g/mol
    Molecular Formula C19H20N2O3S
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass356.11946368 g/mol
    Monoisotopic Mass356.11946368 g/mol
    Topological Polar Surface Area82.7 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity517
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1