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    Ziritaxestat

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 1628260-79-6, Glpg-1690, Glpg1690, 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile, Ziritaxestat [usan], Glpg-1690(ziritaxestat)
    Molecular Formula
    C30H33FN8O2S
    Molecular Weight
    588.7  g/mol
    InChI Key
    REQQVBGILUTQNN-UHFFFAOYSA-N
    FDA UNII
    I02418V13W
    Ziritaxestat is under investigation in clinical trial NCT03798366 (A Clinical Study to Test How Effective and Safe GLPG1690 is for Patients With Systemic Sclerosis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
    2.1.2 InChI
    InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
    2.1.3 InChI Key
    REQQVBGILUTQNN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C(N2C=C(C=C(C2=N1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)C5=NC(=C(S5)C#N)C6=CC=C(C=C6)F
    2.2 Other Identifiers
    2.2.1 UNII
    I02418V13W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo(1,2-a)pyridin-3-yl)methylamino)-4-(4-fluorophenyl)thiazole-5-carbonitrile

    2. Glpg1690

    2.3.2 Depositor-Supplied Synonyms

    1. 1628260-79-6

    2. Glpg-1690

    3. Glpg1690

    4. 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile

    5. Ziritaxestat [usan]

    6. Glpg-1690(ziritaxestat)

    7. Chembl3828074

    8. G451990

    9. I02418v13w

    10. G-451990

    11. 2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

    12. 5-thiazolecarbonitrile, 2-((2-ethyl-6-(4-(2-(3-hydroxy-1-azetidinyl)-2-oxoethyl)-1-piperazinyl)-8-methylimidazo(1,2-a)pyridin-3-yl)methylamino)-4-(4-fluorophenyl)-

    13. Ziritaxestatn

    14. Ziritaxestat (usan/inn)

    15. Ziritaxestat [inn]

    16. Ziritaxestat (glpg1690)

    17. Gtpl9561

    18. Schembl16051264

    19. Unii-i02418v13w

    20. Bcp20895

    21. Ex-a1646

    22. Bdbm50187686

    23. Mfcd31544330

    24. S8895

    25. Who 11017

    26. Cs-7634

    27. Db15403

    28. Sb19736

    29. Compound 11 [pmid: 28414242]

    30. Ac-36149

    31. Hy-101772

    32. J3.652.431f

    33. D11844

    34. A902613

    35. Q23075652

    36. 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile;glpg1690

    37. 42-ethyl-14-fluoro-83-hydroxy-3,48-dimethyl-7-oxo-3-aza-4(3,6)-imidazo(1,2-a)pyridina-5(1,4)-piperazina-2(4,2)-(1,3)thiazola-8(1)-azetidina-1(1)-benzenaoctaphane-25-carbonitrile

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 588.7 g/mol
    Molecular Formula C30H33FN8O2S
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass588.24312166 g/mol
    Monoisotopic Mass588.24312166 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity995
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1