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    Tazemetostat

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    2D Structure
    Also known as: 1467052-75-0, Tazemetostat monohydrobromide, Epz-6438 monohydrobromide, E-7438 hydrobromide, Ez438, Tazemetostat (hydrobromide)
    Molecular Formula
    C34H45BrN4O4
    Molecular Weight
    653.6  g/mol
    InChI Key
    UQRICAQPWZSJNF-UHFFFAOYSA-N
    FDA UNII
    6P89T5M073
    Tazemetostat Hydrobromide is the hydrobromide salt form of tazemetostat, an orally available, small molecule selective and S-adenosyl methionine (SAM) competitive inhibitor of histone methyl transferase EZH2, with potential antineoplastic activity. Upon oral administration, tazemetostat selectively inhibits the activity of both wild-type and mutated forms of EZH2. Inhibition of EZH2 specifically prevents the methylation of histone H3 lysine 27 (H3K27). This decrease in histone methylation alters gene expression patterns associated with cancer pathways and results in decreased tumor cell proliferation in EZH2 mutated cancer cells. EZH2, which belongs to the class of histone methyltransferases (HMTs), is overexpressed or mutated in a variety of cancer cells and plays a key role in tumor cell proliferation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;hydrobromide
    2.1.2 InChI
    InChI=1S/C34H44N4O4.BrH/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40;/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40);1H
    2.1.3 InChI Key
    UQRICAQPWZSJNF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5.Br
    2.2 Other Identifiers
    2.2.1 UNII
    6P89T5M073
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (1,1'-biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-, Hydrobromide (1:2)

    2. (1,1'-biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-, Hydrochloride (1:1)

    3. E 7438

    4. E-7438 Hydrobromide

    5. E7438

    6. Epz-6438

    7. Epz-6438 Dihydrobromide

    8. Epz-6438 Monohydrobromide

    9. Epz-6438 Monohydrochloride

    10. Epz-6438 Trihydrochloride

    11. Ez-438

    12. Ez438

    13. N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(oxan-4-yl)amino)-4-methyl-4'-((morpholin-4-yl)methyl)(1,1'-biphenyl)-3-carboxamide

    14. N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(oxan-4-yl)amino)-4-methyl-4'-((morpholin-4-yl)methyl)(1,1'-biphenyl)-3-carboxamide Monohydrobromide

    15. Tazemetostat

    16. Tazemetostat Dihydrobromide

    17. Tazemetostat Hydrochloride

    18. Tazemetostat Monohydrobromide

    19. Tazemetostat Monohydrochloride

    20. Tazemetostat Trihydrochloride

    21. Tazverik

    2.3.2 Depositor-Supplied Synonyms

    1. 1467052-75-0

    2. Tazemetostat Monohydrobromide

    3. Epz-6438 Monohydrobromide

    4. E-7438 Hydrobromide

    5. Ez438

    6. Tazemetostat (hydrobromide)

    7. Epz-6438 Hydrobromide

    8. Tazemetostat Hydrobromide [usan]

    9. Tazverik

    10. Ez-438

    11. 6p89t5m073

    12. (1,1'-biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-, Hydrobromide (1:1)

    13. N-[(4,6-dimethyl-2-oxo-1h-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;hydrobromide

    14. Unii-6p89t5m073

    15. Tazverik (tn)

    16. 1467052-77-2

    17. Chembl4594260

    18. Schembl15313373

    19. Dtxsid101027715

    20. Hy-13803c

    21. Tazemetostat Hydrobromide (jan/usan)

    22. Tazemetostat Hydrobromide [jan]

    23. Tazemetostat Hydrobromide [who-dd]

    24. Epz-6438 Hydrobromide; Tazemetostat Hbr

    25. Cs-0101826

    26. D11485

    27. Tazemetostat Hydrobromide [orange Book]

    28. Q27265267

    29. N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(oxan-4-yl)amino)-4-methyl-4'-((morpholin-4-yl)methyl)(1,1'-biphenyl)-3-carboxamide Monohydrobromide

    30. N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide Hydrobromide

    31. N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamidehydrobromide

    2.4 Create Date
    2013-11-04
    3 Chemical and Physical Properties
    Molecular Weight 653.6 g/mol
    Molecular Formula C34H45BrN4O4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass652.26242 g/mol
    Monoisotopic Mass652.26242 g/mol
    Topological Polar Surface Area83.1 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity992
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2