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

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    Pradigastat

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    2D Structure
    Also known as: Lcq-908, 956136-95-1, Lcq908, Pradigastat free acid, Lcq-908nxa, Lcq908-nxa
    Molecular Formula
    C25H24F3N3O2
    Molecular Weight
    455.5  g/mol
    InChI Key
    GXALXAKNHIROPE-UHFFFAOYSA-N
    FDA UNII
    2U23G6VNUZ
    Pradigastat has been used in trials studying the treatment of Non-alcoholic Fatty Liver Disease (NAFLD).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[4-[5-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic acid
    2.1.2 InChI
    InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)
    2.1.3 InChI Key
    GXALXAKNHIROPE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    2U23G6VNUZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Lcq908

    2.3.2 Depositor-Supplied Synonyms

    1. Lcq-908

    2. 956136-95-1

    3. Lcq908

    4. Pradigastat Free Acid

    5. Lcq-908nxa

    6. Lcq908-nxa

    7. Lcq-908-nxa

    8. 2u23g6vnuz

    9. Lcq908 - Dgat-1-inhibitor

    10. 956136-95-1 (free Acid)

    11. Pradigastat (usan)

    12. Lcq 908

    13. Pradigastat [usan]

    14. 2-((1s,4s)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetic Acid

    15. 2-[4-[4-[5-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic Acid

    16. 2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetic Acid

    17. Pradigastat [inn]

    18. Pradigastat [usan:inn]

    19. Unii-2u23g6vnuz

    20. Lcq 908nxa

    21. Schembl180536

    22. Gtpl7830

    23. Schembl1289309

    24. Chembl2364624

    25. Schembl16104874

    26. Schembl18286769

    27. Dtxsid401026085

    28. Bcp21089

    29. Lcq908; Lcq 908; Pradigastat

    30. Bdbm50502586

    31. Zinc253387875

    32. Cs-1222

    33. Db12866

    34. Sb16971

    35. Ncgc00378933-01

    36. Ncgc00378933-02

    37. Hy-16278

    38. Db-125833

    39. D10664

    40. A900338

    41. Q27088438

    42. (4-{4-[5-(6-trifluoromethyl-pyridin-3-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic Acid

    43. Cyclohexaneacetic Acid, 4-(4-(5-((6-(trifluoromethyl)-3-pyridinyl)amino)-2-pyridinyl)phenyl)-, Trans-

    44. Lcq-908; Trans-4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexaneacetic Acid;lcq-908

    45. Trans-4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexaneacetic Acid

    2.4 Create Date
    2011-10-17
    3 Chemical and Physical Properties
    Molecular Weight 455.5 g/mol
    Molecular Formula C25H24F3N3O2
    XLogP35.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass455.18206150 g/mol
    Monoisotopic Mass455.18206150 g/mol
    Topological Polar Surface Area75.1 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity631
    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

    Treatment of familial chylomicronaemia syndrome (type I hyperlipoproteinaemia