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    Denfivontinib

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 1457983-28-6, G-749, 8-bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido[4,3-d]pyrimidin-5(6h)-one, 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6h-pyrido[4,3-d]pyrimidin-5-one, Unii-b06w426b66, 8-bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido(4,3-d)pyrimidin-5(6h)-one
    Molecular Formula
    C25H25BrN6O2
    Molecular Weight
    521.4  g/mol
    InChI Key
    SXWMIXPJPNCXQQ-UHFFFAOYSA-N
    FDA UNII
    B06W426B66
    Denfivontinib is an orally bioavailable inhibitor of both wild type and mutant forms of FMS-like tyrosine kinase 3 (FLT3; CD135; STK1; FLK2), with potential antineoplastic activity. Upon administration, denfivontinib binds to and inhibits the activity of FLT3, including FLT3-ITD (internal tandem duplications), FLT3-D835Y as well as other mutants. This inhibits uncontrolled FLT3 signaling and results in the inhibition of proliferation in tumor cells overexpressing FLT3. FLT3, a class III receptor tyrosine kinase (RTK), is overexpressed or mutated in most B lineage neoplasms and in acute myeloid leukemias, and plays a key role in tumor cell proliferation. In addition, denfivontinib also inhibits, to a lesser degree, the receptor tyrosine kinases AXL (UFO), Mer, Ret, vascular endothelial growth factor receptor 1 (VEGFR1), Fms, fibroblast growth factor receptors (FGFR) 1 and 3, and the serine/threonine kinases Aurora B and C.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
    2.1.2 InChI
    InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)
    2.1.3 InChI Key
    SXWMIXPJPNCXQQ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    B06W426B66
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1457983-28-6

    2. G-749

    3. 8-bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido[4,3-d]pyrimidin-5(6h)-one

    4. 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6h-pyrido[4,3-d]pyrimidin-5-one

    5. Unii-b06w426b66

    6. 8-bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido(4,3-d)pyrimidin-5(6h)-one

    7. 8-bromo-2-((1-methylpiperidin-4-yl)amino)-4-(4-phenoxyanilino)-6h-pyrido(4,3-d)pyrimidin-5-one

    8. Refchem:131866

    9. G-801

    10. G749

    11. Pyrido[4,3-d]pyrimidin-5(6h)-one, 8-bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]-

    12. B06w426b66

    13. 8-bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]pyrido[4,3-d]pyrimidin-5(6h)-one

    14. C25h25brn6o2

    15. Mfcd28167815

    16. Denfivontinib [inn]

    17. Gtpl8108

    18. Orb1305257

    19. Chembl4544478

    20. Schembl15265027

    21. Schembl30471308

    22. Bdbm756196

    23. Glxc-90053

    24. Ex-a1074

    25. Bdbm50422751

    26. S7545

    27. Us12350272, Compound 226

    28. Akos026750566

    29. Ccg-269863

    30. Cs-3343

    31. Ebc-220145

    32. Ncgc00386412-04

    33. Ac-33000

    34. Bs-15433

    35. Da-33613

    36. Hy-12333

    37. G-749?

    38. Q27077763

    39. 38-bromo-11-methyl-6-oxa-2,4-diaza-3(2,4)-pyrido[4,3-d]pyrimidina-1(4)-piperidina-5(1,4),7(1)-dibenzenaheptaphan-35(36h)-one

    40. 8-bromo-2-[(1-methyl-4-piperidyl)amino]-4-(4-phenoxyanilino)-6h-pyrido[4,3-d]pyrimidin-5-one

    41. 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-[(4-phenoxyphenyl)amino]-5h,6h-pyrido[4,3-d]pyrimidin-5-one

    2.4 Create Date
    2014-10-10
    3 Chemical and Physical Properties
    Molecular Weight 521.4 g/mol
    Molecular Formula C25H25BrN6O2
    XLogP34.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area91.4
    Heavy Atom Count34
    Formal Charge0
    Complexity716
    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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