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    Paxalisib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 136,306Xls

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    2D Structure
    Also known as: 1382979-44-3, Paxalisib, Gdc0084, Paxalisib [usan], 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine, Chembl3813842
    Molecular Formula
    C18H22N8O2
    Molecular Weight
    382.4  g/mol
    InChI Key
    LGWACEZVCMBSKW-UHFFFAOYSA-N
    FDA UNII
    P5DKZ70636
    Paxalisib is a phosphatidylinositol 3-kinase (PI3K) inhibitor with potential antineoplastic activity. paxalisib specifically inhibits PI3K in the PI3K/AKT kinase (or protein kinase B) signaling pathway, thereby inhibiting the activation of the PI3K signaling pathway. This may result in the inhibition of both cell growth and survival in susceptible tumor cell populations. Activation of the PI3K signaling pathway is frequently associated with tumorigenesis. Dysregulated PI3K signaling may contribute to tumor resistance to a variety of antineoplastic agents.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine
    2.1.2 InChI
    InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)
    2.1.3 InChI Key
    LGWACEZVCMBSKW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C
    2.2 Other Identifiers
    2.2.1 UNII
    P5DKZ70636
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-pyrimidinamine, 5-(8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6h-(1,4)oxazino(4,3-e)purin-2-yl)-

    2. 5-(6,6-dimethyl-4-(4-morpholinyl)-8,9-dihydro-6h-(1,4)oxazino(4,3-e)purin-2-yl)-2-pyrimidinamine

    2.3.2 Depositor-Supplied Synonyms

    1. 1382979-44-3

    2. Paxalisib

    3. Gdc0084

    4. Paxalisib [usan]

    5. 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine

    6. Chembl3813842

    7. P5dkz70636

    8. Gdc 0084

    9. G02441729

    10. 5-(6,6-dimethyl-4-morpholino-8,9-dihydro-6h-[1,4]oxazino[4,3-e]purin-2-yl)pyrimidin-2-amine

    11. G-02441729

    12. 2-pyrimidinamine, 5-(8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6h-(1,4)oxazino(4,3-e)purin-2-yl)-

    13. 2-pyrimidinamine, 5-[8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6h-[1,4]oxazino[4,3-e]purin-2-yl]-

    14. 5-[8,9-dihydro-6,6-dimethyl-4-(4-morpholinyl)-6h-[1,4]oxazino[4,3-e]purin-2-yl]-2-pyrimidinamine

    15. 5-(6,6-dimethyl-4-morpholino-8,9-dihydro-6h-(1,4)oxazino(3,4-e)purin-2-yl)pyrimidin-2-amine

    16. 5-(6,6-dimethyl-4-morpholino-8,9-dihydro-6h-[1,4]oxazino[3,4-e]purin-2-yl)pyrimidin-2-amine

    17. Paxalisib [inn]

    18. Paxalisib (usan/inn)

    19. Unii-p5dkz70636

    20. Schembl10239943

    21. Gtpl10097

    22. Bcp18386

    23. Ex-a1019

    24. Gdc-0084rg7666

    25. Bdbm50177662

    26. Mfcd30187522

    27. Nsc792987

    28. Rg7666

    29. S8163

    30. Who 11102

    31. Akos030526470

    32. Zinc149645112

    33. Ccg-268430

    34. Cs-5638

    35. Db15186

    36. Nsc-792987

    37. Rg-7666

    38. Sb19742

    39. Compound 16 [pmid: 27096040]

    40. Ac-31529

    41. Bs-15481

    42. Hy-19962

    43. D11869

    44. A909398

    45. 5-(6,6-dimethyl-4-(4-morpholinyl)-8,9-dihydro-6h-(1,4)oxazino(4,3-e)purin-2-yl)-2-pyrimidinamine

    2.4 Create Date
    2012-07-23
    3 Chemical and Physical Properties
    Molecular Weight 382.4 g/mol
    Molecular Formula C18H22N8O2
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass382.18657197 g/mol
    Monoisotopic Mass382.18657197 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity552
    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

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)