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    Canertinib

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 267243-28-7, Ci-1033, Pd-183805, Canertinib (ci-1033), Canertinib free base, N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide
    Molecular Formula
    C24H25ClFN5O3
    Molecular Weight
    485.9  g/mol
    InChI Key
    OMZCMEYTWSXEPZ-UHFFFAOYSA-N
    FDA UNII
    C78W1K5ASF
    Canertinib is a pan-erbB tyrosine kinase inhibitor which work against esophageal squamous cell carcinoma in vitro and in vivo. Canertinib treatment significantly affects tumour metabolism, proliferation and hypoxia as determined by PET.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
    2.1.2 InChI
    InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
    2.1.3 InChI Key
    OMZCMEYTWSXEPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
    2.2 Other Identifiers
    2.2.1 UNII
    C78W1K5ASF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ci 1033

    2. Ci-1033

    3. Ci1033

    2.3.2 Depositor-Supplied Synonyms

    1. 267243-28-7

    2. Ci-1033

    3. Pd-183805

    4. Canertinib (ci-1033)

    5. Canertinib Free Base

    6. N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide

    7. N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide

    8. C78w1k5asf

    9. Chembl31965

    10. N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide

    11. Chebi:61399

    12. 267243-28-7 (free Base)

    13. N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide

    14. Ncgc00182713-01

    15. Pd183805

    16. Canertinib [inn]

    17. Canertinib [inn:ban]

    18. Sn-26606

    19. Ci-1033(canertinib)

    20. Ci1033

    21. Unii-c78w1k5asf

    22. Canetinib

    23. Canertinib [mi]

    24. Caneritinib; Ci-1033

    25. Canertinib - Ci-1033

    26. Ci-1033 (canertinib)

    27. Canertinib [who-dd]

    28. Dsstox_cid_28869

    29. Dsstox_rid_83138

    30. Dsstox_gsid_48943

    31. Schembl54837

    32. Mls004774146

    33. Pd 183805 Dihydrochloride

    34. Bdbm4779

    35. Cid_156414

    36. Gtpl5675

    37. Dtxsid8048943

    38. Ex-a078

    39. Bcpp000301

    40. Hms3244m17

    41. Hms3244m18

    42. Hms3244n17

    43. Bcp01790

    44. Tox21_113361

    45. Nsc780019

    46. Nsc801011

    47. S1019

    48. Zinc27439698

    49. Akos005145818

    50. Bcp9000481

    51. Bcp9000482

    52. Bcp9000525

    53. Ccg-269588

    54. Cs-0121

    55. Db05424

    56. Nsc-780019

    57. Nsc-801011

    58. Sb16594

    59. N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide

    60. N-[4-(3-chloro-4-fluoro-anilino)-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enamide

    61. Ncgc00182713-02

    62. Ncgc00182713-18

    63. As-56189

    64. Hy-10367

    65. Smr003500789

    66. Pd0183805

    67. Cas-267243-28-7

    68. Ft-0654215

    69. Ec-000.2258

    70. A25038

    71. 499c452

    72. Q5032274

    73. 2-propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-morpholinyl)propoxy)-6-quinazolinyl)-

    74. N-(4-(3-chloro-4-fluorophenyl)amino)-7-(3-morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide

    75. N-[4-(3-chloro-4-fluoro-phenyl-amino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 485.9 g/mol
    Molecular Formula C24H25ClFN5O3
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count9
    Exact Mass485.1629955 g/mol
    Monoisotopic Mass485.1629955 g/mol
    Topological Polar Surface Area88.6 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity671
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

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

    5 Pharmacology and Biochemistry
    5.1 Mechanism of Action

    CI-1033 effectively inhibits the growth of esophageal squamous cell carcinoma which co-expresses both EGFR and HER2 with the inhibition of phosphorylation of both MAPK and AKT. Some studies suggest that CI-1033 holds significant clinical potential in esophageal cancer.