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    Bezuclastinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Plx-9486, 2roq545lag, Cgt9486, Plx 9486 [who-dd], 4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide, 1616385-51-3
    Molecular Formula
    C19H17N5O
    Molecular Weight
    331.4  g/mol
    InChI Key
    NVSHVYGIYPBTEZ-UHFFFAOYSA-N
    FDA UNII
    2ROQ545LAG
    Bezuclastinib is an orally bioavailable protein tyrosine kinase inhibitor of mutated forms of the tumor-associated antigen mast/stem cell factor receptor c-Kit (SCFR), with potential antineoplastic activity. Upon oral administration, bezuclastinib binds to and inhibits specific c-Kit mutants. This may result in an inhibition of tumor cell proliferation in cancer cell types that overexpress these c-Kit mutations. c-Kit, a transmembrane protein and receptor tyrosine kinase, is overexpressed in solid tumors and hematological malignancies; it plays a key role in the regulation of cell differentiation and proliferation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
    2.1.3 InChI Key
    NVSHVYGIYPBTEZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(NN=C1C(=O)NC2=CN=C3C(=C2)C=C(N3)C4=CC=CC=C4)C
    2.2 Other Identifiers
    2.2.1 UNII
    2ROQ545LAG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Plx-9486

    2. 2roq545lag

    3. Cgt9486

    4. Plx 9486 [who-dd]

    5. 4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide

    6. 1616385-51-3

    7. 3,4-dimethyl-n-(2-phenyl-1h-pyrrolo(2,3-b)pyridin-5-yl)-1h-pyrazole-5-carboxamide

    8. 3,4-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-5-carboxamide

    9. Unii-2roq545lag

    10. Bezuclastinib [inn]

    11. Schembl15824576

    12. Gtpl11868

    13. Plx9486

    14. Bdbm392363

    15. Cgt-9486

    16. Ex-a5975

    17. Us10301280, Compound P-2007

    18. Us10301280, Compound P-2164

    19. Hy-145557

    20. Cs-0376032

    21. 3,4-dimethyl-n-(2-phenyl-1h- Pyrrolo[2,3-b]pyridin-5-yl)-1h- Pyrazole-5-carboxamide

    22. Wej

    2.4 Create Date
    2014-07-14
    3 Chemical and Physical Properties
    Molecular Weight 331.4 g/mol
    Molecular Formula C19H17N5O
    XLogP33.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass331.14331018 g/mol
    Monoisotopic Mass331.14331018 g/mol
    Topological Polar Surface Area86.5 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity480
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1