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    Avutometinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 946128-88-7, Ro5126766, Ro-5126766, Ch5126766, Ro-5126766 free base, Avutometinib
    Molecular Formula
    C21H18FN5O5S
    Molecular Weight
    471.5  g/mol
    InChI Key
    LMMJFBMMJUMSJS-UHFFFAOYSA-N
    FDA UNII
    D0D4252V97
    Avutometinib is an orally bioavailable inhibitor of the serine/threonine protein kinases Raf and mitogen-activated protein kinase kinase (MAP2K, MAPK/ERK kinase, or MEK), with potential antineoplastic activity. Upon oral administration, avutometinib specifically targets, binds to and inhibits the kinase activities of Raf and MEK, resulting in the inhibition of Raf/MEK-mediated signal transduction pathways. This results in the inhibition of Raf/MEK-dependent tumor cell proliferation and survival. The RAS/RAF/MEK/extracellular signal-regulated kinase (ERK) signaling pathway is often dysregulated in human cancers and plays a key role in tumor cell proliferation, differentiation and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[3-fluoro-2-(methylsulfamoylamino)pyridin-4-yl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
    2.1.2 InChI
    InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)
    2.1.3 InChI Key
    LMMJFBMMJUMSJS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F
    2.2 Other Identifiers
    2.2.1 UNII
    D0D4252V97
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ch5126766

    2. Ro5126766

    2.3.2 Depositor-Supplied Synonyms

    1. 946128-88-7

    2. Ro5126766

    3. Ro-5126766

    4. Ch5126766

    5. Ro-5126766 Free Base

    6. Avutometinib

    7. Ro 5126766

    8. Ch-5126766

    9. Rg-7304

    10. Cki-27

    11. Ro5126766(ch5126766)

    12. Chebi:78825

    13. Ro 5126766 - Bio-x

    14. Vs-6766

    15. Chembl3264002

    16. Ro5126766 (ch5126766)

    17. D0d4252v97

    18. R-7304

    19. N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric Diamide

    20. Sulfamide, N-(3-fluoro-4-((4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2h-1-benzopyran-3-yl)methyl)-2-pyridinyl)-n'-methyl-

    21. 3wig

    22. Chu

    23. Avutometinib [inn]

    24. Schembl960093

    25. Unii-d0d4252v97

    26. Gtpl11867

    27. Bcp21067

    28. Ex-a2151

    29. Bdbm50010462

    30. Nsc758248

    31. Nsc800871

    32. S7170

    33. Zinc68247388

    34. Akos030527032

    35. Ccg-269457

    36. Compound 1 [pmid: 24900832]

    37. Cs-5254

    38. Db15254

    39. Nsc-758248

    40. Nsc-800871

    41. Sb16628

    42. Ro 5126766 [who-dd]

    43. Ac-35949

    44. Da-40233

    45. Hy-18652

    46. Ch 5126766

    47. Ft-0737411

    48. A916428

    49. Ro5126766; Ch5126766

    50. Q27147976

    51. Ro 5126766; Ro5126766; Ch5126766; Ch5126766; Ch 5126766

    52. 3-[(2-((n-methylsulfamoyl)amino)-3-fluoropyridin-4-yl)methyl]-4-methyl-7-(pyrimidin-2-yloxy)-chromen-2-one

    53. 3-[[3-fluoro-2-(methylsulfamoylamino)pyridin-4-yl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one

    54. N-(3-fluoro-4-((4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl)methyl)pyridin-2-yl)-n'-methylsulfamide

    2.4 Create Date
    2007-08-27
    3 Chemical and Physical Properties
    Molecular Weight 471.5 g/mol
    Molecular Formula C21H18FN5O5S
    XLogP32
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count7
    Exact Mass471.10126803 g/mol
    Monoisotopic Mass471.10126803 g/mol
    Topological Polar Surface Area141 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity845
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1