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    Temanogrel

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 118,575Xls

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    2D Structure
    Also known as: 887936-68-7, Apd791, Apd-791, Benzamide, 3-methoxy-n-[3-(1-methyl-1h-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-, Chembl1084617, F42z27575a
    Molecular Formula
    C24H28N4O4
    Molecular Weight
    436.5  g/mol
    InChI Key
    ZEOQUKRCASTCFR-UHFFFAOYSA-N
    FDA UNII
    F42Z27575A
    APD791 is an oral anti-thrombotic drug candidate being evaluated in a Phase 1 clinical trial by Arena. APD791 is intended to lower the risk of arterial thrombosis by reducing the amplification of platelet aggregation, arterial constriction and intimal hyperplasia mediated by serotonin.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methoxy-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
    2.1.2 InChI
    InChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)
    2.1.3 InChI Key
    ZEOQUKRCASTCFR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)OCCN4CCOCC4
    2.2 Other Identifiers
    2.2.1 UNII
    F42Z27575A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-methoxy-n-(3-(1-methyl-1h-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)benzamide

    2. Apd 791

    3. Apd791

    2.3.2 Depositor-Supplied Synonyms

    1. 887936-68-7

    2. Apd791

    3. Apd-791

    4. Benzamide, 3-methoxy-n-[3-(1-methyl-1h-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-

    5. Chembl1084617

    6. F42z27575a

    7. 3-methoxy-n-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide

    8. Benzamide,3-methoxy-n-[3-(1-methyl-1h-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-

    9. 3-methoxy-n-(3-(1-methyl-1h-pyrazol-5-yl)-4-(2-(morpholin-4- Yl)ethoxy)phenyl)benzamide

    10. 3-methoxy-n-(3-(1-methyl-1h-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)benzamide

    11. 3-methoxy-n-(3-(2-methyl-2h-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl)- Benzamide

    12. 3-methoxy-n-[3-(2-methyl-2h-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide

    13. Benzamide, 3-methoxy-n-(3-(1-methyl-1h-pyrazol-5-yl)-4-(2-(4- Morpholinyl)ethoxy)phenyl)-

    14. Temanogrel [usan]

    15. Temanogrel [usan:inn]

    16. Unii-f42z27575a

    17. Apd 791

    18. Benzamide,3-methoxy-n-(3-(1-methyl-1h-pyrazol-5-yl)-4-(2-(4-morpholinyl)ethoxy)phenyl)-

    19. Temanogrel [inn]

    20. Temanogrel (usan/inn)

    21. Temanogrel [who-dd]

    22. Apd791apd791

    23. Schembl1166554

    24. Dtxsid70237321

    25. Chebi:177604

    26. Bcp24269

    27. Bdbm50319423

    28. Zinc35920376

    29. As-74248

    30. Hy-10560

    31. Cs-0002653

    32. A17094

    33. D09976

    34. D84074

    35. Q27277611

    36. 3-methoxy-n-[3-(1-methyl-1h-pyrazol-5-yl)-4-[2-(morpholin-4-yl)ethoxy]phenyl]benzamide

    37. 3-methoxy-n-[3-(2-methyl-2h-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)phenyl]-benzamide

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 436.5 g/mol
    Molecular Formula C24H28N4O4
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass436.21105539 g/mol
    Monoisotopic Mass436.21105539 g/mol
    Topological Polar Surface Area77.8 Ų
    Heavy Atom Count32
    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 Drug and Medication Information
    4.1 Drug Indication

    For the treatment and prophylaxis of arterial thrombosis.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    APD791 is intended to lower the risk of arterial thrombosis by reducing the amplification of platelet aggregation, arterial constriction and intimal hyperplasia mediated by serotonin. Preclinical testing suggests that APD791 could have a unique risk-benefit profile because its anti-thrombotic activity may be less likely to cause the increased bleeding seen with anti-thrombotic agents that are members of other classes of drugs.

    5.2 MeSH Pharmacological Classification

    Serotonin 5-HT2 Receptor Antagonists

    Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes. (See all compounds classified as Serotonin 5-HT2 Receptor Antagonists.)

    5.3 Mechanism of Action

    APD791 targets the 5-HT2A serotonin receptor, blocking the signal of serotonin, which facilitates thrombosis.