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    Ladarixin

    DEVELOPMENTS

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    2D Structure
    Also known as: 849776-05-2, Ladarixin [inn], (r)-4-[1-(methylsulfonamido)-1-oxo-2-propyl]phenyl trifluoromethanesulfonate, 4-((2r)-1-oxo-1-(methanesulfonamido)propan-2-yl)phenyl trifluoromethanesulfonate, Deh7q6472o, 849776-05-2 (free)
    Molecular Formula
    C11H12F3NO6S2
    Molecular Weight
    375.3  g/mol
    InChI Key
    DDLPYOCJHQSVSZ-SSDOTTSWSA-N
    FDA UNII
    DEH7Q6472O
    Ladarixin is under investigation in clinical trial NCT04628481 (A Study of Oral Ladarixin in New-onset Type 1 Diabetes and a Low Residual -Cell Function).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-[(2R)-1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl] trifluoromethanesulfonate
    2.1.2 InChI
    InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
    2.1.3 InChI Key
    DDLPYOCJHQSVSZ-SSDOTTSWSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C
    2.1.5 Isomeric SMILES
    C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    DEH7Q6472O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2'-((4'-trifluoromethanesulfonyloxy)phenyl)-n-methanesulfonylpropionamide

    2. Df 2156a

    3. Df 2156y

    4. Df-2156a

    5. Df-2156y

    6. Df2156a

    7. Df2156y

    2.3.2 Depositor-Supplied Synonyms

    1. 849776-05-2

    2. Ladarixin [inn]

    3. (r)-4-[1-(methylsulfonamido)-1-oxo-2-propyl]phenyl Trifluoromethanesulfonate

    4. 4-((2r)-1-oxo-1-(methanesulfonamido)propan-2-yl)phenyl Trifluoromethanesulfonate

    5. Deh7q6472o

    6. 849776-05-2 (free)

    7. Methanesulfonic Acid, 1,1,1-trifluoro-, 4-((1r)-1-methyl-2-((methylsulfonyl)amino)-2-oxoethyl)phenyl Ester

    8. Methanesulfonic Acid, Trifluoro-, 4-((1r)-1-methyl-2-((methylsulfonyl)amino)-2-oxoethyl)phenyl Ester

    9. Df2156a

    10. Unii-deh7q6472o

    11. Ladarixin [who-dd]

    12. Schembl251618

    13. Chembl189475

    14. Dtxsid50234030

    15. Df-2156a

    16. Ac6925

    17. Bdbm50475370

    18. Akos037649625

    19. Cs-12792

    20. Hy-19519

    21. Cs-0015618

    22. A857904

    23. Q27276351

    24. (r)-(-)-n-(2-(4-(trifluoromethanesulfonyloxy)phenyl)propionyl)methanesulfonamide

    25. [4-[(2r)-1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl] Trifluoromethanesulfonate

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 375.3 g/mol
    Molecular Formula C11H12F3NO6S2
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass375.00581394 g/mol
    Monoisotopic Mass375.00581394 g/mol
    Topological Polar Surface Area123 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity624
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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 type I diabetes mellitus