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    Technical details about Gedatolisib, learn more about the structure, uses, toxicity, action, side effects and more

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    Gedatolisib

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    2D Structure
    1. Also known as: 1197160-78-3, Pki-587, Pf-05212384, Pki 587, 1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea, Pki587
    Molecular Formula
    C32H41N9O4
    Molecular Weight
    615.7  g/mol
    InChI Key
    DWZAEMINVBZMHQ-UHFFFAOYSA-N
    FDA UNII
    96265TNH2R
    Gedatolisib is an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity. Upon intravenous administration, gedatolisib inhibits both PI3K and mTOR kinases, which may result in apoptosis and growth inhibition of cancer cells overexpressing PI3K/mTOR. Activation of the PI3K/mTOR pathway promotes cell growth, survival, and resistance to chemotherapy and radiotherapy; mTOR, a serine/threonine kinase downstream of PI3K, may also be activated independent of PI3K.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
    2.1.2 InChI
    InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
    2.1.3 InChI Key
    DWZAEMINVBZMHQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6
    2.2 Other Identifiers
    2.2.1 UNII
    96265TNH2R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(4-((4-(dimethylamino)piperidin-1-yl)carbonyl)phenyl)-3-(4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl)urea

    2. Pf-05212384

    3. Pki 587

    4. Pki-587

    5. Pki587

    2.3.2 Depositor-Supplied Synonyms

    1. 1197160-78-3

    2. Pki-587

    3. Pf-05212384

    4. Pki 587

    5. 1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea

    6. Pki587

    7. Pf-05212384 (pki-587)

    8. Pf 05212384

    9. Chembl592445

    10. 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

    11. 96265tnh2r

    12. N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-n'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea

    13. Gedatolisib (pf-05212384, Pki-587)

    14. Pki-587; Pf-05212384

    15. Urea, N-(4-((4-(dimethylamino)-1-piperidinyl)carbonyl)phenyl)-n'-(4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl)-

    16. 1-(4-((4-(dimethylamino)piperidin-1-yl)carbonyl)phenyl)-3-(4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl)urea

    17. Gedatolisib [usan:inn]

    18. Unii-96265tnh2r

    19. 1-(4-{[4-(dimethylamino)piperidin-1-yl]carbonyl}phenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

    20. Urea, N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-n'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-

    21. Pk 587

    22. Pk 1587

    23. Gedatolisib(pki-587)

    24. Gedatolisib [inn]

    25. Gedatolisib (usan/inn)

    26. Gedatolisib [usan]

    27. Gedatolisib (pki-587)

    28. Schembl32393

    29. Gedatolisib [who-dd]

    30. Gtpl7940

    31. Dtxsid40152557

    32. Ex-a028

    33. Hms3748m11

    34. Bcp01986

    35. Bdbm50308135

    36. Mfcd16875679

    37. Nsc758256

    38. Nsc801014

    39. S2628

    40. Zinc49757175

    41. Akos005766013

    42. Ccg-264662

    43. Cs-0449

    44. Db11896

    45. Fe-0013

    46. Nsc-758256

    47. Nsc-801014

    48. Sb16571

    49. Ncgc00370777-01

    50. Ncgc00370777-04

    51. Ac-31519

    52. Hy-10681

    53. Ft-0700110

    54. Pki-587,pf-05212384

    55. A25474

    56. D10635

    57. J-004182

    58. J-523339

    59. Q27077788

    60. Pki-587

    61. 1197160-78-3

    62. Pki587

    63. Pki 587

    64. N-(4-((4-(dimethylamino)-1-piperidinyl)carbonyl)phenyl)-n'-(4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl)urea

    65. N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-n'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]urea

    66. N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-n'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea

    67. Vl1

    2.4 Create Date
    2009-12-22
    3 Chemical and Physical Properties
    Molecular Weight 615.7 g/mol
    Molecular Formula C32H41N9O4
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass615.32815082 g/mol
    Monoisotopic Mass615.32815082 g/mol
    Topological Polar Surface Area128 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity913
    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.)

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