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    Tovorafenib

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 1096708-71-2, Mln2480, Biib-024, Tak-580, Mln 2480, Mln-2480
    Molecular Formula
    C17H12Cl2F3N7O2S
    Molecular Weight
    506.3  g/mol
    InChI Key
    VWMJHAFYPMOMGF-ZCFIWIBFSA-N
    FDA UNII
    ZN90E4027M
    Tovorafenib is an orally available inhibitor of wild-type and certain mutant forms of A-Raf, B-Raf and C-Raf protein kinases, with potential antineoplastic activity. Upon administration, tovorafenib inhibits Raf-mediated signal transduction pathways, which may lead to an inhibition of tumor cell growth. Raf protein kinases play a key role in the RAF/MEK/ERK signaling pathway, which is often deregulated in human cancers and plays a key role in tumor cell proliferation and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
    2.1.2 InChI
    InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1
    2.1.3 InChI Key
    VWMJHAFYPMOMGF-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    CC(C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl
    2.1.5 Isomeric SMILES
    C[C@H](C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=C(C(=NC=N3)N)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    ZN90E4027M
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((1r)-1-((6-amino-5-chloropyrimidine-4-carbonyl)amino)ethyl)-n-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)-1,3-thiazole-5-carboxamide

    2. Mln 2480

    3. Mln2480

    4. Tak-580

    2.3.2 Depositor-Supplied Synonyms

    1. 1096708-71-2

    2. Mln2480

    3. Biib-024

    4. Tak-580

    5. Mln 2480

    6. Mln-2480

    7. Biib024

    8. Tovorafenib

    9. Biib 024

    10. Day101

    11. Tovorafenib [usan]

    12. Tak-580 (mln2480)

    13. Tak 580

    14. Amg 2112819

    15. Tak580

    16. Zn90e4027m

    17. 2-[(1r)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-n-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide

    18. 6-amino-5-chloro-n-((1r)-1-(5-(((5-chloro-4-(trifluoromethyl)-2-pyridinyl)amino)carbonyl)-2-thiazolyl)ethyl)-4-pyrimidinecarboxamide

    19. 6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

    20. 4-pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-

    21. Unii-zn90e4027m

    22. 4-pyrimidinecarboxamide, 6-amino-5-chloro-n-((1r)-1-(5-(((5-chloro-4-(trifluoromethyl)-2-pyridinyl)amino)carbonyl)-2-thiazolyl)ethyl]-

    23. 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-4-pyrimidinecarboxamide

    24. Qop

    25. Tovorafenib [inn]

    26. Gtpl9977

    27. Schembl4206123

    28. Chembl3348923

    29. Tak 580 [who-dd]

    30. Day-101

    31. Dtxsid70149011

    32. Ex-a940

    33. Chebi:167672

    34. 4-pyrimidinecarboxamide, 6-amino-5-chloro-n-((1r)-1-(5-(((5-chloro-4-(trifluoromethyl)-2-pyridinyl)amino)carbonyl)-2-thiazolyl)ethyl)-

    35. Bcp13797

    36. Mfcd22571730

    37. Nsc766906

    38. Nsc800798

    39. S7121

    40. Who 11985

    41. Zinc43202464

    42. Mln 2480(biib-024)

    43. Akos027323782

    44. Amg2112819

    45. Ccg-269746

    46. Cs-0751

    47. Db15266

    48. Nsc-766906

    49. Nsc-800798

    50. Amg-2112819

    51. Ncgc00346458-01

    52. Ncgc00346458-02

    53. Example 10da [us20090036419]

    54. Hy-15246

    55. P13369

    56. J-690031

    57. Q27295775

    58. (2z,3z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile - Ethanol (1:1)

    2.4 Create Date
    2009-02-23
    3 Chemical and Physical Properties
    Molecular Weight 506.3 g/mol
    Molecular Formula C17H12Cl2F3N7O2S
    XLogP33
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass505.0102337 g/mol
    Monoisotopic Mass505.0102337 g/mol
    Topological Polar Surface Area164 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity695
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1