Please Wait
Applying Filters...
menu
    • menu
    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Aurigene is a global leader in accelerating drug innovation through discovery, development & manufacturing.

    Virtual Booth

    Contact Supplier

    Midas Pharma provides expertise in developing and supplying APIs, finished products, and intermediates.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2025-01-06

    Virtual Booth

    Contact Supplier

    Menu

    Olitigaltin

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Td-139, Td139, 1450824-22-2, Td 139, Olitigaltin, Gb0139
    Molecular Formula
    C28H30F2N6O8S
    Molecular Weight
    648.6  g/mol
    InChI Key
    YGIDGBAHDZEYMT-MQFIMZJJSA-N
    FDA UNII
    60Y0GUO72B
    Olitigaltin is an inhaled, small molecule inhibitor of galectin-3 (Gal-3), with potential anti-fibrotic activity. Upon administration, olitigaltin inhibits the activity of Gal-3. This may prevent the activation of alveolar macrophages and fibroblasts, and the resulting fibrosis in the lungs. Gal-3, a beta-galactoside-binding lectin, is expressed in multiple cell types including macrophages, fibroblasts, activated T-lymphocytes and epithelial cells. It is upregulated in fibrotic lung diseases including idiopathic pulmonary fibrosis (IPF) and interstitial pneumonia associated with collagen vascular disease (CVD-IP), and plays an important role in fibrosis in multiple organs. It is also often dysregulated in cancers, and may play a role in angiogenesis, cell proliferation and cell survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(2S,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
    2.1.2 InChI
    InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
    2.1.3 InChI Key
    YGIDGBAHDZEYMT-MQFIMZJJSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)F)C2=CN(N=N2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)N5C=C(N=N5)C6=CC(=CC=C6)F)O)CO)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC(=C1)F)C2=CN(N=N2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)N5C=C(N=N5)C6=CC(=CC=C6)F)O)CO)O
    2.2 Other Identifiers
    2.2.1 UNII
    60Y0GUO72B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Gb 0139

    2. Gb-0139

    3. Gb0139

    4. Td-139

    2.3.2 Depositor-Supplied Synonyms

    1. Td-139

    2. Td139

    3. 1450824-22-2

    4. Td 139

    5. Olitigaltin

    6. Gb0139

    7. Olitigaltin [usan]

    8. Gb-0139

    9. 60y0guo72b

    10. (2s,3r,4s,5r,6r)-4-[4-(3-fluorophenyl)triazol-1-yl]-2-[(2s,3r,4s,5r,6r)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

    11. (2r,2'r,3r,3'r,4s,4's,5r,5'r,6s,6's)-6,6'-thiobis(4-(4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl)-2-(hydroxymethyl)tetrahydro-2h-pyran-3,5-diol)

    12. Unii-60y0guo72b

    13. Td2

    14. Olitigaltin [inn]

    15. Gal-3 Inhibitor Gb0139

    16. Galectin-3 Inhibitor Gb0139

    17. Chembl4297442

    18. Schembl15657269

    19. Td 139 [who-dd]

    20. Gtpl12148

    21. Ex-a1688

    22. Who 12032

    23. Zinc208938373

    24. Cs-6265

    25. Db12895

    26. Gb 0139

    27. Ac-35516

    28. Beta-d-galactopyranoside, 3-deoxy-3-(4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl)-beta-d-galactopyranosyl 3-deoxy-3-(4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl)-1-thio-

    29. Bs-15429

    30. Bt173009

    31. Hy-19940

    32. C72753

    33. A857944

    34. Q27263259

    35. Bis-(3-deoxy-3-(3-fluorophenyl-1h-1,2,3-triazol-1-yl)-beta-d-galactopyranosyl)-sulfane

    36. .beta.-d-galactopyranoside, 3-deoxy-3-(4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl)-.beta.-d-galactopyranosyl 3-deoxy-3-(4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl)-1-thio-

    37. 3,3'-dideoxy-3,3'-bis-(4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl)-1,1'-sulfanediyl-di-.beta.- D-galactopyranoside

    38. Bis(3-deoxy-3-(3-fluorophenyl-1h-1,2,3-triazol-1-yl)-.beta.-d-galactopyranosyl)sulfane

    2.4 Create Date
    2014-05-26
    3 Chemical and Physical Properties
    Molecular Weight 648.6 g/mol
    Molecular Formula C28H30F2N6O8S
    XLogP30.2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count8
    Exact Mass648.18138943 g/mol
    Monoisotopic Mass648.18138943 g/mol
    Topological Polar Surface Area227 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity903
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1