loader
Please Wait
Applying Filters...

Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Tropifexor

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Bora Pharmaceuticals- Making success more certain.

    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    2D Structure
    1. Also known as: 1383816-29-2, Ljn452, Nvp-ljn452-nxa, Ljn-452, Tropifexor [inn], Tropifexor [usan]
    Molecular Formula
    C29H25F4N3O5S
    Molecular Weight
    603.6  g/mol
    InChI Key
    VYLOOGHLKSNNEK-JWTNVVGKSA-N
    FDA UNII
    NMZ08KM76Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18?
    2.1.3 InChI Key
    VYLOOGHLKSNNEK-JWTNVVGKSA-N
    2.1.4 Canonical SMILES
    C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)(F)F)COC4CC5CCC(C4)N5C6=NC7=C(C=C(C=C7S6)C(=O)O)F
    2.1.5 Isomeric SMILES
    C1C[C@H]2CC(C[C@@H]1N2C3=NC4=C(C=C(C=C4S3)C(=O)O)F)OCC5=C(ON=C5C6=CC=CC=C6OC(F)(F)F)C7CC7
    2.2 Other Identifiers
    2.2.1 UNII
    NMZ08KM76Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((1r,5s)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)-1,2-oxazol-4-yl)methoxy)-8-azabicyclo(3.2.1)octan-8-yl)-4-fluoro-1,3-benzothiazole-6-carboxylic Acid

    2. Ljn452

    2.3.2 Depositor-Supplied Synonyms

    1. 1383816-29-2

    2. Ljn452

    3. Nvp-ljn452-nxa

    4. Ljn-452

    5. Tropifexor [inn]

    6. Tropifexor [usan]

    7. Tropifexor (ljn452)

    8. Nmz08km76z

    9. 2-[(1r,3r,5s)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic Acid

    10. Tropifexor (usan)

    11. Rel-2-((1r,3r,5s)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-fluorobenzo[d]thiazole-6-carboxylic Acid

    12. 2-((1r,5s)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)-1,2-oxazol-4-yl)methoxy)-8-azabicyclo(3.2.1)octan-8-yl)-4-fluoro-1,3-benzothiazole-6-carboxylic Acid

    13. 2-[(1r,5s)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic Acid

    14. Ljn452; Tropifexor

    15. Tropifexor [usan:inn]

    16. Unii-nmz08km76z

    17. Gtpl9725

    18. Chembl4298169

    19. Schembl17848159

    20. Schembl19178329

    21. Schembl20788139

    22. Dtxsid001100225

    23. Amy16804

    24. Ex-a1934

    25. Bdbm50527040

    26. Mfcd31619256

    27. S8733

    28. Who 10443

    29. Akos037648712

    30. Compound 1 [pmid: 29148806]

    31. Cs-8153

    32. Ac-30341

    33. Bs-15324

    34. Hy-107418

    35. D11548

    36. F53709

    37. A903437

    38. 1383819-10-0

    39. 2-((1r,3r,5s)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)-1,2-oxazol-4-yl)methoxy)-8- Azabicyclo(3.2.1)octan-8-yl)-4-fluoro-1,3-benzothiazole-6-carboxylic Acid

    40. 2-((1r,5s)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-fluorobenzo[d]thiazole-6-carboxylic Acid

    41. 2-[(3-endo)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic Acid

    42. 6-benzothiazolecarboxylic Acid, 2-((3-endo)-3-((5-cyclopropyl-3-(2- (trifluoromethoxy)phenyl)-4-isoxazolyl)methoxy)-8-azabicyclo(3.2.1)oct-8- Yl)-4-fluoro-

    43. Gwf

    2.4 Create Date
    2016-08-06
    3 Chemical and Physical Properties
    Molecular Weight 603.6 g/mol
    Molecular Formula C29H25F4N3O5S
    XLogP36.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count8
    Exact Mass603.14510473 g/mol
    Monoisotopic Mass603.14510473 g/mol
    Topological Polar Surface Area126 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity979
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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 non-alcoholic steatohepatitis (NASH)

    Post Enquiry
    POST ENQUIRY