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    UNII-UF6PC17XAV

    PharmaCompass
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    2D Structure
    Also known as: 1650550-25-6, Ag-221 mesylate, Enasidenib mesilate, Enasidenib methanesulfonate, Enasidenib (mesylate), Uf6pc17xav
    Molecular Formula
    C20H21F6N7O4S
    Molecular Weight
    569.5  g/mol
    InChI Key
    ORZHZQZYWXEDDL-UHFFFAOYSA-N
    FDA UNII
    UF6PC17XAV
    Enasidenib Mesylate is the mesylate salt form of enasidenib, an orally available inhibitor of specific mutant forms of the mitochondrial enzyme isocitrate dehydrogenase type 2 (IDH2), with potential antineoplastic activity. Upon administration, enasidenib specifically inhibits various mutant forms of IDH2, including the IDH2 variants R140Q, R172S, and R172K, which inhibits the formation of 2-hydroxyglutarate (2HG). This may lead to both an induction of cellular differentiation and an inhibition of cellular proliferation in IDH2-expressing tumor cells. IDH2, an enzyme in the citric acid cycle, is mutated in a variety of cancers; it initiates and drives cancer growth by blocking differentiation and the production of the oncometabolite 2HG.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methanesulfonic acid;2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
    2.1.2 InChI
    InChI=1S/C19H17F6N7O.CH4O3S/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1H3,(H,2,3,4)
    2.1.3 InChI Key
    ORZHZQZYWXEDDL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    UF6PC17XAV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1650550-25-6

    2. Ag-221 Mesylate

    3. Enasidenib Mesilate

    4. Enasidenib Methanesulfonate

    5. Enasidenib (mesylate)

    6. Uf6pc17xav

    7. Enasidenib Mesylate [usan]

    8. Cc-90007

    9. 1650550-25-6 (mesylate)

    10. Enasidenib Mesylate (usan)

    11. 2-propanol, 2-methyl-1-((4-(6-(trifluoromethyl)-2-pyridinyl)-6-((2-(trifluoromethyl)-4-pyridinyl)amino)-1,3,5-triazin-2-yl)amino)-, Methanesulfonate (1:1)

    12. 2-methyl-1-[4-(6-trifluoromethyl-pyridin-2-yl)-6-(2-trifluoromethyl-pyridin-4-ylamino)-[1,3,5]triazin-2-ylamino]-propan-2-ol Mesylate

    13. Methanesulfonic Acid;2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol

    14. Unii-uf6pc17xav

    15. Idhifa (tn)

    16. Chembl3989931

    17. Enasidenib Mesylate [mi]

    18. Schembl16448052

    19. Dtxsid501027943

    20. Bcp26166

    21. Ex-a1972

    22. Enasidenib Mesylate [who-dd]

    23. Hy-18690a

    24. S4929

    25. Enasidenib Mesylate; Ag-221 Mesylate

    26. At36098

    27. Cs-7541

    28. Enasidenib Mesylate [orange Book]

    29. Ac-31319

    30. D11044

    31. Q27291054

    32. 2-methyl-1-((4-(6-(trifluoromethyl)pyridin-2-yl)- 6-((2-(trifluoromethyl)pyridin-4-yl)amino)-1,3,5-triazin- 2-yl)amino)propan-2-ol Methanesulfonate

    2.4 Create Date
    2015-02-23
    3 Chemical and Physical Properties
    Molecular Weight 569.5 g/mol
    Molecular Formula C20H21F6N7O4S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count6
    Exact Mass569.12799232 g/mol
    Monoisotopic Mass569.12799232 g/mol
    Topological Polar Surface Area172 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity727
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 FDA Pharmacological Classification
    4.1.1 Pharmacological Classes
    Isocitrate Dehydrogenase 2 Inhibitors [MoA]; Isocitrate Dehydrogenase 2 Inhibitor [EPC]