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    CAS 760937-92-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 760937-92-6, Teneligliptin [inn], Teliglietin, [(2s,4s)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone, Mp-513, Teneligliptin hydrobromide
    Molecular Formula
    C22H30N6OS
    Molecular Weight
    426.6  g/mol
    InChI Key
    WGRQANOPCQRCME-PMACEKPBSA-N
    FDA UNII
    28ZHI4CF9C
    Teneligliptin is a long-acting, orally bioavailable, pyrrolidine-based inhibitor of dipeptidyl peptidase 4 (DPP-4), with hypoglycemic activity. Teneligliptin may also reduce plasma triglyceride levels through a sustained increase in GLP-1 levels.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
    2.1.2 InChI
    InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
    2.1.3 InChI Key
    WGRQANOPCQRCME-PMACEKPBSA-N
    2.1.4 Canonical SMILES
    CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5
    2.1.5 Isomeric SMILES
    CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    28ZHI4CF9C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-ylcarbonyl)thiazolidine

    2.3.2 Depositor-Supplied Synonyms

    1. 760937-92-6

    2. Teneligliptin [inn]

    3. Teliglietin

    4. [(2s,4s)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

    5. Mp-513

    6. Teneligliptin Hydrobromide

    7. 28zhi4cf9c

    8. Chembl2147777

    9. Teneligliptin (inn)

    10. 906093-29-6

    11. {(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone

    12. Unii-28zhi4cf9c

    13. Teneli

    14. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(1,3-thiazolidin-3-yl)methanone

    15. Cs-0882

    16. Teneligliptin [mi]

    17. Schembl161778

    18. Teneligliptin [who-dd]

    19. Gtpl9906

    20. Dtxsid30997419

    21. Chebi:136042

    22. Mp513

    23. Amy40806

    24. Bdbm50391565

    25. Mfcd13195565

    26. Zinc36520254

    27. Akos025401965

    28. Db11950

    29. Compound 8g [pmid: 22959556]

    30. Ncgc00378896-02

    31. Ncgc00378896-03

    32. Ncgc00378896-04

    33. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone

    34. Ac-27649

    35. As-83281

    36. Hy-14806

    37. D08616

    38. 937t926

    39. Teneligliptin (contain Around 5% Hexanes)

    40. Q15269678

    41. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone Hydrobromide

    42. {4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone

    43. 3-{(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl}thiazolidine

    44. M51

    2.4 Create Date
    2006-11-20
    3 Chemical and Physical Properties
    Molecular Weight 426.6 g/mol
    Molecular Formula C22H30N6OS
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass426.22018078 g/mol
    Monoisotopic Mass426.22018078 g/mol
    Topological Polar Surface Area81.9 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity594
    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

    A10BH08 - Teneligliptin