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    Vilagletistat

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    2D Structure
    Also known as: Zed-1227, 1542132-88-6, T4sr539ykf, Zed1227, Tak-227, Methyl (e,6s)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
    Molecular Formula
    C26H36N6O6
    Molecular Weight
    528.6  g/mol
    InChI Key
    VHGWUSABWIEXKQ-BEBFYNPSSA-N
    FDA UNII
    T4SR539YKF
    ZED-1227 is under investigation in clinical trial NCT05305599 (Different Doses of ZED1227 vs. Placebo in NAFLD).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
    2.1.2 InChI
    InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1
    2.1.3 InChI Key
    VHGWUSABWIEXKQ-BEBFYNPSSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    T4SR539YKF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Zed1227

    2.3.2 Depositor-Supplied Synonyms

    1. Zed-1227

    2. 1542132-88-6

    3. T4sr539ykf

    4. Zed1227

    5. Tak-227

    6. Methyl (e,6s)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate

    7. Methyl (e,6s)-7-((1-(2-(2-ethylbutylamino)-2-oxoethyl)-2-oxopyridin-3-yl)amino)-6-((3-methylimidazole-4-carbonyl)amino)-7-oxohept-2-enoate

    8. Refchem:195896

    9. Unii-t4sr539ykf

    10. Chembl4081588

    11. Methyl (s,e)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-2-oxo-1,2-dihydropyridin-3-yl)amino)-6-(1-methyl-1h-imidazole-5-carboxamido)-7-oxohept-2-enoate

    12. (2e,6s)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1h-imidazol-5-yl)carbonyl)amino)-7-oxo-2-heptenoic Acid Methyl Ester

    13. Methyl (e,6s)-7-((1-(2-(2-ethylbutylamino)-2-oxo-ethyl)-2-oxo-3-pyridyl)amino)-6-((3-methylimidazole-4-carbonyl)amino)-7-oxo-hept-2-enoate

    14. (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester

    15. 2-heptenoic Acid, 7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1h-imidazol-5-yl)carbonyl)amino)-7-oxo-, Methyl Ester, (2e,6s)-

    16. 2-heptenoic Acid, 7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-, Methyl Ester, (2e,6s)-

    17. Methyl (2e,6s)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1h-imidazol-5-yl)carbonyl)amino)-7-oxo-2-heptenoate

    18. Methyl (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoate

    19. Glutaminase

    20. Vilagletistat [inn]

    21. Orb1706443

    22. Schembl16751074

    23. Ex-a7845r

    24. Gtpl12802

    25. (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoicacidmethylester

    26. Bdbm50245478

    27. Akos040742843

    28. Hy-19359

    29. Ms-29784

    30. Cs-0015432

    31. G15912

    32. (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester; (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester

    2.4 Create Date
    2014-03-03
    3 Chemical and Physical Properties
    Molecular Weight 528.6 g/mol
    Molecular Formula C26H36N6O6
    XLogP31.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count15
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area152
    Heavy Atom Count38
    Formal Charge0
    Complexity958
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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