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    Dubermatinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dubermatinib, Tp-0903, 1341200-45-0, Tp0903, Tp 0903, Dubermatinib [usan]
    Molecular Formula
    C24H30ClN7O2S
    Molecular Weight
    516.1  g/mol
    InChI Key
    YUAALFPUEOYPNX-UHFFFAOYSA-N
    FDA UNII
    14D65TV20J
    Dubermatinib is an orally available and selective inhibitor of the receptor tyrosine kinase AXL (UFO), with potential antineoplastic activity. Upon administration, dubermatinib targets and binds to AXL and prevents its activity. This blocks AXL-mediated signal transduction pathways and inhibits the epithelial-mesenchymal transition (EMT), which, in turn, inhibits tumor cell proliferation and migration. In addition, TP-0903 enhances chemo-sensitivity to certain other chemotherapeutic agents. AXL, a member of the Tyro3, AXL and Mer (TAM) family of receptor tyrosine kinases and overexpressed by many tumor cell types, plays a key role in tumor cell proliferation, survival, invasion and metastasis; its expression is associated with drug resistance and poor prognosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
    2.1.2 InChI
    InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
    2.1.3 InChI Key
    YUAALFPUEOYPNX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    14D65TV20J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((5-chloro-2-(4-((4-methylpiperazin-1-yl)methyl)anilino)pyrimidin-4-yl)amino)-n,n-dimethylbenzenesulfonamide

    2. Dubermatinib

    3. Tp-0903

    4. Tp0903

    2.3.2 Depositor-Supplied Synonyms

    1. Dubermatinib

    2. Tp-0903

    3. 1341200-45-0

    4. Tp0903

    5. Tp 0903

    6. Dubermatinib [usan]

    7. Chembl2022968

    8. Hcl-2084

    9. Compound 13

    10. 14d65tv20j

    11. 2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-n,n-dimethylbenzenesulfonamide

    12. Dubermatinib [inn]

    13. Dubermatinib [who-dd]

    14. Unii-14d65tv20j

    15. Gtpl8863

    16. Schembl12813478

    17. Ex-a609

    18. Amy10826

    19. Bcp15884

    20. Bdbm50382425

    21. Mfcd28502172

    22. Nsc798200

    23. Who 10925

    24. Zinc84617535

    25. Akos026750306

    26. Ccg-269819

    27. Cs-4281

    28. Db15187

    29. Nsc-798200

    30. Sb17174

    31. Ncgc00481577-01

    32. Ac-30945

    33. As-55868

    34. Da-45909

    35. Hy-12963

    36. Ft-0700169

    37. S7846

    38. A900291

    39. J-690134

    40. Q27089011

    41. 2-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)pyrimidin-4-yl]amino}-n,n-dimethylbenzene-1-sulfonamide

    42. 35-chloro-n,n,74-trimethyl-2,4-diaza-3(4,2)-pyrimidina-7(1)-piperazina-1(1),5(1,4)-dibenzenaheptaphane-12-sulfonamide

    43. Benzenesulfonamide, 2-((5-chloro-2-((4-((4-methyl-1-piperazinyl)methyl)phenyl)amino)-4-pyrimidinyl)amino)-n,n-dimethyl-

    2.4 Create Date
    2012-03-19
    3 Chemical and Physical Properties
    Molecular Weight 516.1 g/mol
    Molecular Formula C24H30ClN7O2S
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass515.1870221 g/mol
    Monoisotopic Mass515.1870221 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity752
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1