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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1421373-66-1, Azd-9291 mesylate, Azd9291 mesylate, Mereletinib mesylate, Osimertinib mesilate, Mereletinib mesilate
    Molecular Formula
    C29H37N7O5S
    Molecular Weight
    595.7  g/mol
    InChI Key
    FUKSNUHSJBTCFJ-UHFFFAOYSA-N
    FDA UNII
    RDL94R2A16
    CAS 1421373-66-1
    Osimertinib Mesylate is the mesylate salt form of osimertinib, a third-generation, orally available, irreversible, mutant-selective, epidermal growth factor receptor (EGFR) inhibitor, with potential antineoplastic activity. Upon oral administration, osimertinib covalently binds to and inhibits the activity of numerous mutant forms of EGFR, including the secondarily-acquired resistance mutation T790M, L858R, and exon 19 deletions, thereby preventing EGFR-mediated signaling. This may both induce cell death and inhibit tumor growth in EGFR-overexpressing tumor cells. EGFR, a receptor tyrosine kinase mutated in many tumor cell types, 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

    CAS 1421373-66-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)
    2.1.3 InChI Key
    FUKSNUHSJBTCFJ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    RDL94R2A16
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mereletinib Mesylate

    2. Osimertinib Mesilate

    3. Mereletinib Mesilate

    4. Azd-9291 Mesylate

    5. Azd9291 Mesylate

    6. N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-2-propenamide Methanesulfonate (1:1)

    2.3.2 Depositor-Supplied Synonyms

    1. 1421373-66-1

    2. Azd-9291 Mesylate

    3. Azd9291 Mesylate

    4. Mereletinib Mesylate

    5. Osimertinib Mesilate

    6. Mereletinib Mesilate

    7. Rdl94r2a16

    8. 2-propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-, Methanesulfonate (1:1)

    9. Chebi:90948

    10. Dtxsid101027822

    11. N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamide Methanesulfonate (1:1)

    12. N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-2-propenamide Methanesulfonate (1:1)

    13. Refchem:58258

    14. Dtxcid601513393

    15. Azd-9291 (mesylate)

    16. Tagrisso

    17. Osimertinib Mesylate [usan]

    18. Azd 9291 Mesylate

    19. Unii-rdl94r2a16

    20. N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide Methanesulfonate

    21. N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanesulfonic Acid

    22. Mfcd28137994

    23. Osimertinib Mesilate (jan)

    24. Osimertinib Mesylate (usan)

    25. Osimertinib Mesilate [jan]

    26. Tagrisso (tn)

    27. 2-propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-, Methanesulfonate (1:1); Azd 9291 Mesylate; Osimertinib Mesylate; Osimertinib Mesilate

    28. Osimertinib Monomesylate

    29. N-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanesulfonic Acid

    30. Osimertinib Methanesulfonate

    31. Orb1303975

    32. Chembl3545063

    33. Schembl14661152

    34. Schembl29353024

    35. Schembl29375936

    36. C29h37n7o5s

    37. Osimertinib Mesylate [mi]

    38. Fuksnuhsjbtcfj-uhfffaoysa-n

    39. Hms5084m21

    40. Hy-15772ar

    41. Osimertinib (mesylate) (standard)

    42. Ex-a1577

    43. Ebc-17161

    44. Hy-15772a

    45. Osimertinib Mesilate [who-dd]

    46. Akos026673944

    47. Ds-9913

    48. Sb22953

    49. Ac-29022

    50. Da-35303

    51. Fd146297

    52. Osimertinib Mesylate [orange Book]

    53. S5078

    54. Azd-9291 Mesylate (osimertinibmereletinib)?

    55. D10766

    56. Q27162942

    57. Azd9291 Ms Salt, Osimertinib Ms Salt; Mereletinib Ms Salt

    58. N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide Methanesulfonate

    59. N-.(2-.((2-.(dimethylamino) Ethyl) (methyl) Amino) - 4- Methoxy- 5- ((4- (1- Methyl- 1h- Indol- 3- Yl) Pyrimidin- 2- Yl) Amino) Phen Yl) Acrylamide Methanesulfonate

    60. N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamide Methanesulfonate

    2.4 Create Date
    2014-10-10
    3 Chemical and Physical Properties
    Molecular Weight 595.7 g/mol
    Molecular Formula C29H37N7O5S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count10
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area150
    Heavy Atom Count42
    Formal Charge0
    Complexity845
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS.

    Tyrosine Kinase Inhibitors

    Protein kinase inhibitors that inhibit TYROSINE PROTEIN KINASES.

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