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    Poziotinib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 1092364-38-9, Hm781-36b, Nov120101, Unii-oei6oou6ik, Poziotinib [inn], Nov-120101
    Molecular Formula
    C23H21Cl2FN4O3
    Molecular Weight
    491.3  g/mol
    InChI Key
    LPFWVDIFUFFKJU-UHFFFAOYSA-N
    FDA UNII
    OEI6OOU6IK
    Poziotinib is an orally bioavailable, quinazoline-based, irreversible pan-epidermal growth factor receptor (EGFR or HER) inhibitor, with potential antineoplastic activity. Upon oral administration, poziotinib inhibits EGFR (HER1 or ErbB1), HER2 and HER4, thereby inhibiting proliferation of tumor cells in which these receptors are overexpressed and/or mutated. EGFRs, cell surface receptor tyrosine kinases upregulated or mutated in a variety of cancer cell types, play key roles in cellular proliferation and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
    2.1.2 InChI
    InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)
    2.1.3 InChI Key
    LPFWVDIFUFFKJU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C
    2.2 Other Identifiers
    2.2.1 UNII
    OEI6OOU6IK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hm781-36

    2. Hm781-36b

    2.3.2 Depositor-Supplied Synonyms

    1. 1092364-38-9

    2. Hm781-36b

    3. Nov120101

    4. Unii-oei6oou6ik

    5. Poziotinib [inn]

    6. Nov-120101

    7. Hm-781-36b

    8. Poziotinib [usan]

    9. 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

    10. 1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)prop-2-en-1-one

    11. Oei6oou6ik

    12. Hm-781-36

    13. Nov-1201

    14. Mfcd28044290

    15. Hm 781-36b

    16. 1-[4-[[4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one

    17. 2-propen-1-one, 1-[4-[[4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-

    18. 1-(4-(4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one

    19. 1-[4-({4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]prop-2-en-1-one

    20. 2-propen-1-one, 1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)oxy)-1-piperidinyl)-

    21. Hm-78136b

    22. Poziotinib [who-dd]

    23. C23h21cl2fn4o3

    24. Poziotinib (hm781-36b)

    25. Gtpl7903

    26. Schembl3391764

    27. Chembl3545154

    28. Dtxsid80148853

    29. Ex-a528

    30. Hms3673k03

    31. Amy24248

    32. Bcp08270

    33. Who 9736

    34. Bdbm50468247

    35. Nsc783296

    36. Nsc800856

    37. S7358

    38. Zinc95930125

    39. Akos026674078

    40. Ccg-264748

    41. Cs-3942

    42. Db12114

    43. Nov 120101

    44. Nsc-783296

    45. Nsc-800856

    46. Sb16882

    47. Ncgc00386427-01

    48. Ncgc00386427-02

    49. Ac-29021

    50. As-74851

    51. Bp161454

    52. Da-47945

    53. Hy-15730

    54. Sy235762

    55. Hm 781-36

    56. Ft-0752903

    57. A13044

    58. J-690026

    59. Q27088426

    60. 1-(4-((4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl)oxy(piperidin-1-yl)prop-2-en-1-one

    61. 1-[4-[4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazoline-6-yloxy]-1-piperidinyl]-2-propene-1-one

    2.4 Create Date
    2009-01-19
    3 Chemical and Physical Properties
    Molecular Weight 491.3 g/mol
    Molecular Formula C23H21Cl2FN4O3
    XLogP35.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass490.0974741 g/mol
    Monoisotopic Mass490.0974741 g/mol
    Topological Polar Surface Area76.6 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity684
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1