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    Technical details about Belvarafenib, learn more about the structure, uses, toxicity, action, side effects and more

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    Belvarafenib

    DIGITAL CONTENT

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 1446113-23-0, 31m3wlj3kg, 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide, Gdc-5573, 4-amino-n-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide, Hm95573
    Molecular Formula
    C23H16ClFN6OS
    Molecular Weight
    478.9  g/mol
    InChI Key
    KVCQTKNUUQOELD-UHFFFAOYSA-N
    FDA UNII
    31M3WLJ3KG
    Belvarafenib is an orally available inhibitor of members of the Raf family of serine/threonine protein kinases, with potential antineoplastic activity. Upon administration, belvarafenib binds to and inhibits the B-Raf mutant V600E and C-Raf. This inhibits B-Raf V600E- and C-Raf-mediated signal transduction pathways, thereby inhibiting tumor cell growth of susceptible tumor cells. In addition, belvarafenib may also inhibit mutated Ras proteins. Raf protein kinases play a key role in the Raf/mitogen-activated protein kinase kinase (MEK)/extracellular signal-related kinase (ERK) signaling pathway, which is often dysregulated in human cancers and plays a key role in tumor cell proliferation and survival. The Raf mutation B-Raf V600E, where the valine at residue 600 is substituted for glutamic acid, is frequently overexpressed in a variety of human tumors and results in the constitutive activation of the Raf/MEK/ERK signaling pathway.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
    2.1.2 InChI
    InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
    2.1.3 InChI Key
    KVCQTKNUUQOELD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N
    2.2 Other Identifiers
    2.2.1 UNII
    31M3WLJ3KG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1446113-23-0

    2. 31m3wlj3kg

    3. 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide

    4. Gdc-5573

    5. 4-amino-n-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide

    6. Hm95573

    7. 4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide

    8. 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno(3,2-d)pyrimidine-7-carboxamide

    9. Belvarafenib [inn]

    10. Unii-31m3wlj3kg

    11. Belvarafenib [who-dd]

    12. Chembl3977543

    13. Schembl15066408

    14. Gtpl11544

    15. Bdbm185591

    16. Bcp31233

    17. Ex-a3061

    18. Whc11323

    19. S8853

    20. Akos037648828

    21. Ac-36878

    22. Bs-15746

    23. Example 116 [wo2013100632a1]

    24. Hy-109080

    25. Cs-0039257

    26. D81081

    27. Belvarafenib(gdc5573, Hm95573, Rg6185)

    28. A930123

    29. Us9156852, 116

    30. 4-amino-n-(1-(3-chloro-2-fluorophenylamino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide

    31. Thieno(3,2-d)pyrimidine-7-carboxamide, 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methyl-5-isoquinolinyl)-

    32. V1y

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 478.9 g/mol
    Molecular Formula C23H16ClFN6OS
    XLogP34.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass478.0778862 g/mol
    Monoisotopic Mass478.0778862 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity708
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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