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    Talabostat Mesylate

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,793,725Xls

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    2D Structure
    Also known as: 150080-09-4, Val-boropro, Talabostat (mesylate), Talabostat mesilate, Talabostat mesylate [usan], Methanesulfonic acid ((r)-1-((s)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid (1:1)
    Molecular Formula
    C10H23BN2O6S
    Molecular Weight
    310.18  g/mol
    InChI Key
    OXYYOEIGQRXGPI-WSZWBAFRSA-N
    FDA UNII
    V8ZG4Y1B51
    Talabostat Mesylate is the mesylate salt of an orally active small molecule with antineoplastic and hematopoiesis- stimulating activities. By cleaving N-terminal Xaa-Pro or Xaa-Ala residues, talabostat inhibits dipeptidyl peptidases, such as fibroblast activation protein (FAP), resulting in the stimulation of cytokine and chemokine production and specific T-cell immunity and T-cell dependent activity. This agent may also stimulate the production of colony stimulating factors, such as granulocyte colony stimulating factor (G-CSF), resulting in the stimulation of hematopoiesis. Dipeptidyl peptidases are involved in the activation of polypeptide hormones and chemokines.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1
    2.1.3 InChI Key
    OXYYOEIGQRXGPI-WSZWBAFRSA-N
    2.1.4 Canonical SMILES
    B(C1CCCN1C(=O)C(C(C)C)N)(O)O.CS(=O)(=O)O
    2.1.5 Isomeric SMILES
    B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    V8ZG4Y1B51
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. L-valinyl-l-boroproline

    2. Pt 100

    3. Pt-100

    4. Pt100 Cpd

    5. Talabostat

    6. Valinyl-boroproline

    2.3.2 Depositor-Supplied Synonyms

    1. 150080-09-4

    2. Val-boropro

    3. Talabostat (mesylate)

    4. Talabostat Mesilate

    5. Talabostat Mesylate [usan]

    6. Methanesulfonic Acid ((r)-1-((s)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic Acid (1:1)

    7. Pt-100

    8. Talabostat Mesylate (usan)

    9. V8zg4y1b51

    10. Pt100

    11. 150080-09-4 (mesylate)

    12. [(2r)-1-[(2s)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic Acid Mesylate

    13. ((2r)-1-((2s)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic Acid Methanesulfonate

    14. (r)-1-((s)-2-amino-3-methylbutanoyl)pyrrolidin-2-ylboronic Acid Methanesulfonic Acid (1:1)

    15. Methanesulfonic Acid ((r)-1-((s)-2-amino-3-methyl-butanoyl)pyrrolidin-2-yl)boronic Acid (1:1)

    16. Unii-v8zg4y1b51

    17. Talabostatmesylate

    18. Methanesulfonic Acid Compound With ((r)-1-((s)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic Acid (1:1)

    19. Talabostat Methanesulfonic Acid

    20. Bxcl 701

    21. Schembl4782073

    22. Chembl3545064

    23. Dtxsid70164466

    24. [(2r)-1-[(2s)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic Acid;methanesulfonic Acid

    25. Amy14815

    26. Bcp04652

    27. Ex-a2166

    28. Hy-13233a

    29. Mfcd13194906

    30. S8455

    31. Talabostat (val-boropro, Pt-100)

    32. Akos016000622

    33. Bcp9000205

    34. Cs-3187

    35. Ac-35958

    36. As-73355

    37. Talabostat Mesylate; Val-boropro; Pt100

    38. Bcp0726000045

    39. B3941

    40. A14080

    41. D05990

    42. H11715

    43. Val-boropro; Pt100; Pt 100; Pt-100

    44. 080t094

    45. A903812

    46. Q27291679

    47. [(2r)-1-[(2s)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic Acid; Methanesulfonic Acid

    48. [(2r)-1-[(2s)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic Acidmesylate

    49. B-[(2r)-1-[(2s)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]boronic Acid Methanesulfonate

    50. ((2r)-1-((2s)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic Acid Methanesulphonate

    51. Boronic Acid, ((2r)-1-((2s)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl) Monomethanesulfonate

    52. Boronic Acid, ((2r)-1-((2s)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl) Monomethanesulphonate

    53. Boronic Acid, ((2r)-1-((2s)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-, Monomethanesulfonate

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 310.18 g/mol
    Molecular Formula C10H23BN2O6S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass310.1369878 g/mol
    Monoisotopic Mass310.1369878 g/mol
    Topological Polar Surface Area150 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2