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    Abivertinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Avitinib, 1557267-42-1, Ac0010, N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide, Ex-acea0010, Abivertinib [usan]
    Molecular Formula
    C26H26FN7O2
    Molecular Weight
    487.5  g/mol
    InChI Key
    UOFYSRZSLXWIQB-UHFFFAOYSA-N
    FDA UNII
    CER0OPG92L
    Abivertinib is an orally available, irreversible, epidermal growth factor receptor (EGFR) mutant-selective inhibitor, with potential antineoplastic activity. Upon oral administration, abivertinib covalently binds to and inhibits the activity of mutant forms of EGFR, including the drug-resistant T790M EGFR mutant, which prevents signaling mediated by mutant forms of EGFR. This may both induce cell death and inhibit tumor growth in EGFR-mutated tumor cells. EGFR, a receptor tyrosine kinase that is mutated in a variety of cancers, plays a key role in tumor cell proliferation and tumor vascularization. As this agent is selective towards mutant forms of EGFR, its toxicity profile may be reduced when compared to non-selective EGFR inhibitors, which also inhibit wild-type EGFR.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
    2.1.2 InChI
    InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
    2.1.3 InChI Key
    UOFYSRZSLXWIQB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F
    2.2 Other Identifiers
    2.2.1 UNII
    CER0OPG92L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-

    2. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-, (2z)-2-butenedioate (1:1)

    3. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-, (2z)-2-butenedioate, Hydrate (1:1:2)

    4. A-610ma

    5. A610ma

    6. Abivertinib Maleate

    7. Abivertinib Maleate Anhydrous

    8. Abivertinib Maleate Dihydrate

    9. Ac-0010

    10. Ac-0010 Maleate Dihydrate

    11. Ac-0010ma

    12. Ac0010

    13. Ac0010ma

    14. Acea100610

    15. Avitinib

    16. Avitinib Maleate

    17. Ex-acea0010

    18. Ex-acea0010ma

    19. Exacea0010ma

    20. Fujovee

    21. N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)acrylamide

    22. Sti-5656

    23. Sti5656

    2.3.2 Depositor-Supplied Synonyms

    1. Avitinib

    2. 1557267-42-1

    3. Ac0010

    4. N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide

    5. Ex-acea0010

    6. Abivertinib [usan]

    7. Acea100610

    8. Cer0opg92l

    9. Ac-0010

    10. A610

    11. Abivertinib (usan)

    12. 1557267-42-1 (free Base)

    13. N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide

    14. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-

    15. 2-propenamide, N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-

    16. N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide

    17. N-(3-{2-[3-fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7h-pyrrolo[2,3-d]pyrimidin-4-yloxy-phenyl)-acrylamide

    18. Avitinib Free Base

    19. Fujovee

    20. Avitinib (ac0010)

    21. Unii-cer0opg92l

    22. Abivertinib [inn]

    23. Avitinib (superceded Inn)

    24. Avitinib [who-dd]

    25. Abivertinib [who-dd]

    26. Chembl4297865

    27. Schembl15453394

    28. Gtpl10044

    29. Ex-a783

    30. Bdbm294480

    31. Avitinib(ac0010/ac0010ma)

    32. Bcp16381

    33. Us9586965, Cpd 3

    34. Mfcd29089376

    35. S8741

    36. Zinc142081723

    37. Ac 0010

    38. Cs-w008904

    39. Db15327

    40. Ac-35320

    41. Ds-19269

    42. Hy-19816

    43. N-(3-{2-[3-fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7h-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide

    44. Cs-0016789

    45. A16826

    46. D11308

    47. F17427

    48. A927386

    49. N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- Yl)phenyl)amino)-7h-pyrrolo[2,3-d]- Pyrimidin-4-yl)oxy)phenyl)acrylamide

    50. N-(3-(2-(3-fluoro-4-(4-methylpiperazin-1-yl)phenylamino)-7h-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl)acrylamide

    51. N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-2-propenamide

    2.4 Create Date
    2014-02-18
    3 Chemical and Physical Properties
    Molecular Weight 487.5 g/mol
    Molecular Formula C26H26FN7O2
    XLogP34.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass487.21320126 g/mol
    Monoisotopic Mass487.21320126 g/mol
    Topological Polar Surface Area98.4 Ų
    Heavy Atom Count36
    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
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Protein Kinase Inhibitors

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