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    Derazantinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1234356-69-4, Arq-087, Arq087, Derazantinib [usan], Arq 087, N9b0h171mj
    Molecular Formula
    C29H29FN4O
    Molecular Weight
    468.6  g/mol
    InChI Key
    KPJDVVCDVBFRMU-AREMUKBSSA-N
    FDA UNII
    N9B0H171MJ
    Derazantinib is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) with potential antineoplastic activity. Derazantinib binds to and potently inhibits the activity of FGFR subtypes 1, 2 and 3. This may result in the inhibition of FGFR-mediated signal transduction pathways, tumor cell proliferation, tumor angiogenesis and tumor cell death in FGFR-overexpressing tumor cells. FGFR, a receptor tyrosine kinase, is upregulated in many tumor cell types and plays a key role in tumor cellular proliferation, differentiation, angiogenesis and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
    2.1.2 InChI
    InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1
    2.1.3 InChI Key
    KPJDVVCDVBFRMU-AREMUKBSSA-N
    2.1.4 Canonical SMILES
    COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5F
    2.1.5 Isomeric SMILES
    COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F
    2.2 Other Identifiers
    2.2.1 UNII
    N9B0H171MJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-(2-fluorophenyl)-n-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo(h)quinazolin-2-amine

    2. Arq 087

    2.3.2 Depositor-Supplied Synonyms

    1. 1234356-69-4

    2. Arq-087

    3. Arq087

    4. Derazantinib [usan]

    5. Arq 087

    6. N9b0h171mj

    7. (6r)-6-(2-fluorophenyl)-n-(3-{2-[(2-methoxyethyl)amino]ethyl}phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

    8. Benzo(h)quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-n-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-, (6r)-

    9. Benzo[h]quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-n-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-, (6r)-

    10. Derazantinib(arq-087)

    11. Derazantinib [inn]

    12. Derazantinib (arq 087)

    13. Unii-n9b0h171mj

    14. Derazantinib [who-dd]

    15. Gtpl9785

    16. Chembl4297187

    17. Schembl13273847

    18. Arq-087arq-087

    19. Amy16754

    20. Bcp29103

    21. Ex-a1717

    22. S8609

    23. Who 10488

    24. Akos037648596

    25. Cs-7922

    26. Db14889

    27. Ac-30343

    28. Bs-14785

    29. Hy-19981

    30. A16825

    31. C71924

    32. (6r)-6-(2-fluorophenyl)-5,6-dihydro-n-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-benzo[h]quinazolin-2-amine

    33. (r)-6-(2-fluorophenyl)-n-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

    34. 1814961-15-3

    2.4 Create Date
    2010-08-02
    3 Chemical and Physical Properties
    Molecular Weight 468.6 g/mol
    Molecular Formula C29H29FN4O
    XLogP35.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass468.23253972 g/mol
    Monoisotopic Mass468.23253972 g/mol
    Topological Polar Surface Area59.1 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity638
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1