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    Evogliptin

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 12,630Xls

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    2D Structure
    Also known as: Da-1229, Evogliptin [inn], 1222102-29-5, Chembl1779710, Evogliptin (inn), Da1229
    Molecular Formula
    C19H26F3N3O3
    Molecular Weight
    401.4  g/mol
    InChI Key
    LCDDAGSJHKEABN-MLGOLLRUSA-N
    FDA UNII
    09118300L7
    Evogliptin has been used in trials studying the treatment and screening of Osteoporosis, Renal Impairment, Type 2 Diabetes Mellitus, Diabetes Mellitis Type 2, and Diabetes Mellitus, Type 2.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
    2.1.2 InChI
    InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1
    2.1.3 InChI Key
    LCDDAGSJHKEABN-MLGOLLRUSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(CC2=CC(=C(C=C2F)F)F)N
    2.1.5 Isomeric SMILES
    CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N
    2.2 Other Identifiers
    2.2.1 UNII
    09118300L7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one

    2. Da 1229

    3. Da-1229

    4. Da1229

    2.3.2 Depositor-Supplied Synonyms

    1. Da-1229

    2. Evogliptin [inn]

    3. 1222102-29-5

    4. Chembl1779710

    5. Evogliptin (inn)

    6. Da1229

    7. (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)-butanoyl)-3-(t-butoxymethyl)-piperazin-2-one

    8. (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one

    9. 2-piperazinone, 4-((3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-3-((1,1-dimethylethoxy)methyl)-, (3r)-

    10. 09118300l7

    11. (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one

    12. Unii-09118300l7

    13. Evogliptin [who-dd]

    14. Schembl343846

    15. Dtxsid00153545

    16. Bdbm50344779

    17. Db12625

    18. Hy-117985

    19. Cs-0068793

    20. C92448

    21. D11023

    22. Q25103700

    23. (r)-4-[(r)-3-amino-4-(2,4,5-trifluorophenyl) Butanoyl]-3-(t-butoxymethyl)piperazin-2-one

    24. (r)-4-[(r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(t-butoxymethy)piperazin-2-one

    25. (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butoxymethyl)piperazin-2-one

    26. (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

    27. (r)-4-[(r)-3-amino-4-(2,4,5-trifluorophenyl) Butanoyl]-3-(t-butoxymethyl)piperazine-2-one

    28. 8vu

    2.4 Create Date
    2008-11-10
    3 Chemical and Physical Properties
    Molecular Weight 401.4 g/mol
    Molecular Formula C19H26F3N3O3
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass401.19262619 g/mol
    Monoisotopic Mass401.19262619 g/mol
    Topological Polar Surface Area84.7 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity558
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A10 - Drugs used in diabetes

    A10B - Blood glucose lowering drugs, excl. insulins

    A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors

    A10BH07 - Evogliptin