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

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    Pelitinib

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 257933-82-7, Ekb-569, Pelitinib (ekb-569), Way-ekb 569, Ekb 569, Way-ekb-569
    Molecular Formula
    C24H23ClFN5O2
    Molecular Weight
    467.9  g/mol
    InChI Key
    WVUNYSQLFKLYNI-AATRIKPKSA-N
    FDA UNII
    X5DWL380Z6
    Pelitinib is a 3-cyanoquinoline pan-ErbB tyrosine kinase inhibitor with potential antineoplastic activity. Pelitinib irreversibly binds covalently to epidermal growth factor receptors (EGFR) ErbB-1, -2 and -4, thereby inhibiting receptor phosphorylation and signal transduction and resulting in apoptosis and suppression of proliferation in tumor cells that overexpress these receptors.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
    2.1.2 InChI
    InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
    2.1.3 InChI Key
    WVUNYSQLFKLYNI-AATRIKPKSA-N
    2.1.4 Canonical SMILES
    CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C
    2.1.5 Isomeric SMILES
    CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    X5DWL380Z6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide

    2. Ekb 569

    3. Ekb-569

    4. Eki 569

    5. Eki-569

    2.3.2 Depositor-Supplied Synonyms

    1. 257933-82-7

    2. Ekb-569

    3. Pelitinib (ekb-569)

    4. Way-ekb 569

    5. Ekb 569

    6. Way-ekb-569

    7. 326894-84-2

    8. (e)-n-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide

    9. (e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide

    10. X5dwl380z6

    11. (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide

    12. (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide

    13. Chebi:38927

    14. (e)-n-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide

    15. Mfcd09837868

    16. (e)-n-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide

    17. (e)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide

    18. 2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2e)-

    19. Pelitinib [usan]

    20. Eki-569

    21. Pelitinib [usan:inn]

    22. Unii-x5dwl380z6

    23. Ekb569

    24. Eki 569

    25. (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide

    26. (2e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide

    27. 93j

    28. Pelitinib [inn]

    29. Pelitinib (usan/inn)

    30. Pelitinib - Ekb-569

    31. 2-butenamide, (e)-,

    32. Pelitinib [who-dd]

    33. Schembl93756

    34. Schembl93757

    35. Mls006010062

    36. Chembl607707

    37. Gtpl7644

    38. Bdbm31090

    39. Cid_6445562

    40. Ex-a061

    41. Bcpp000118

    42. Bcpp000119

    43. Zinc602803

    44. Bcp02376

    45. Nsc729742

    46. Nsc800841

    47. S1392

    48. Akos005146343

    49. Ccg-264890

    50. Db05524

    51. Nsc-729742

    52. Nsc-800841

    53. Way-172569

    54. Ncgc00263103-09

    55. Ncgc00263103-10

    56. (e)-n-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide

    57. Ac-24700

    58. Ac-25029

    59. As-16280

    60. Hy-32718

    61. Smr004701222

    62. Pelitinib (ekb-569; Way-ekb 569)

    63. P2529

    64. Sw219267-1

    65. Ec-000.2259

    66. D05399

    67. 933p827

    68. A818030

    69. Q-101404

    70. Brd-k08799216-001-01-2

    71. Q27088290

    72. (2e)-n-(-((3-chloro-4-fluorophenyl)amino)3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide

    73. (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide Pelitinib

    74. (2e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-dimethylamino-2-butenamide

    75. (e)-n-[3-cyano-4-[(4-fluoro-3-chlorophenyl)amino]-7-ethoxyquinoline-6-yl]-4-(dimethylamino)-2-buteneamide

    76. (e)-n-[4-(3-chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide, (iupac)

    77. (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide

    78. 3-cyano-4-[(3-chloro-4-fluorophenyl)amino]-6-[[4-(n,n-dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxyquinoline

    79. 4-dimethylaminobut-2-enoic Acid, [4-(3-chloro-4-fluoro Phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide

    2.4 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 467.9 g/mol
    Molecular Formula C24H23ClFN5O2
    XLogP34.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass467.1524308 g/mol
    Monoisotopic Mass467.1524308 g/mol
    Topological Polar Surface Area90.3 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity729
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in colorectal cancer and lung cancer.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)