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    Cilofexor

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 286,399Xls

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    2D Structure
    Also known as: 1418274-28-8, Gs-9674, Cilofexor [inn], Px104, Yun2306954, 2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic acid
    Molecular Formula
    C28H22Cl3N3O5
    Molecular Weight
    586.8  g/mol
    InChI Key
    KZSKGLFYQAYZCO-UHFFFAOYSA-N
    FDA UNII
    YUN2306954
    Cilofexor is under investigation in clinical trial NCT02943447 (Safety, Tolerability, and Efficacy of Cilofexor in Adults With Primary Biliary Cholangitis Without Cirrhosis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
    2.1.3 InChI Key
    KZSKGLFYQAYZCO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5(CN(C5)C6=NC=CC(=C6)C(=O)O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    YUN2306954
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(3-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl)methoxy)phenyl)-3-hydroxy-1-azetidinyl)isonicotinic Acid

    2. 2-(3-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)phenyl)-3-hydroxyazetidin-1-yl)isonicotinic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 1418274-28-8

    2. Gs-9674

    3. Cilofexor [inn]

    4. Px104

    5. Yun2306954

    6. 2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic Acid

    7. Gs 9674

    8. 2-(3-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)phenyl)-3-hydroxyazetidin-1-yl)isonicotinic Acid

    9. 2-(3-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)phenyl)-3-hydroxy-1-azetidinyl)-4-pyridinecarboxylic Acid

    10. 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic Acid

    11. 4-pyridinecarboxylic Acid, 2-(3-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)phenyl)-3-hydroxy-1-azetidinyl)-

    12. 2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]phenyl]-3-hydroxy-1-azetidinyl]-4-pyridinecarboxylic Acid

    13. Cilofexor (gs(c)\9674)

    14. Chembl4297613

    15. Schembl14641986

    16. Unii-yun2306954

    17. Gtpl10644

    18. Gs 9674 [who-dd]

    19. Bcp29283

    20. Bdbm50511109

    21. Gs9674

    22. S6547

    23. Db15168

    24. Ac-35893

    25. Example 13/9 [us10485795b2]

    26. Hy-109083

    27. Cs-0039260

    28. F78361

    29. A927993

    30. 2163097-55-8

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 586.8 g/mol
    Molecular Formula C28H22Cl3N3O5
    XLogP35.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass585.062504 g/mol
    Monoisotopic Mass585.062504 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity867
    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 primary sclerosing cholangitis