loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about TD-139, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    TD 139

    DEVELOPMENTS

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

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

    2D Structure
    1. 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
    Post Enquiry
    POST ENQUIRY