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    Lanifibranor

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    INTERMEDIATES

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 247,643Xls

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    2D Structure
    Also known as: 927961-18-0, Iva-337, Iva337, 28q8ag0pyl, Chembl4091374, Cpd1537
    Molecular Formula
    C19H15ClN2O4S2
    Molecular Weight
    434.9  g/mol
    InChI Key
    OQDQIFQRNZIEEJ-UHFFFAOYSA-N
    FDA UNII
    28Q8AG0PYL
    Lanifibranor is under investigation in clinical trial NCT03008070 (Phase 2b Study in NASH to Assess IVA337).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid
    2.1.2 InChI
    InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)
    2.1.3 InChI Key
    OQDQIFQRNZIEEJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2
    2.2 Other Identifiers
    2.2.1 UNII
    28Q8AG0PYL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Iva337

    2.3.2 Depositor-Supplied Synonyms

    1. 927961-18-0

    2. Iva-337

    3. Iva337

    4. 28q8ag0pyl

    5. Chembl4091374

    6. Cpd1537

    7. 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic Acid

    8. 1h-indole-2-butanoic Acid, 1-(6-benzothiazolylsulfonyl)-5-chloro-

    9. 5-chloro-1-((6-benzothiazolyl)sulfonyl)-1h-indole-2-butanoic Acid

    10. 4-(1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic Acid

    11. 4-(1-(benzo[d]thiazol-6-ylsulfonyl)-5-chloro-1h-indol-2-yl)butanoic Acid

    12. 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic Acid

    13. Lanifbranor

    14. Libfranor

    15. Lanifbranor [inn]

    16. Lanifibranor(iva-337)

    17. Lanifibranor [inn]

    18. Unii-28q8ag0pyl

    19. Lanifibranor [who-dd]

    20. Schembl3528615

    21. Amy16813

    22. Cmb96118

    23. Ex-a1511

    24. Bdbm50244350

    25. S8770

    26. Akos037649312

    27. Db14801

    28. Sb18746

    29. Ac-31451

    30. Bs-17993

    31. Hy-104049

    32. Cs-0027586

    33. A903382

    34. Q27896056

    35. 1-(6-benzothiazolylsulfonyl)-5-chloro-1h-indole-2-butanoic Acid

    36. Bjb

    37. Iva-337; Iva 337;4-(1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic Acid;iva-337

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 434.9 g/mol
    Molecular Formula C19H15ClN2O4S2
    XLogP34.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass434.0161770 g/mol
    Monoisotopic Mass434.0161770 g/mol
    Topological Polar Surface Area126 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity686
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1