loader
Please Wait
Applying Filters...

Evonik Evonik

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Apricoxib, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Apricoxib

    APIs // Active Pharmaceutical Ingredients

    DEVELOPMENTS

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. 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
    Post Enquiry
    POST ENQUIRY