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

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    Dactolisib

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    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 915019-65-7, Nvp-bez235, Bez235, Nvp-bez 235, Bez-235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1h-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile
    Molecular Formula
    C30H23N5O
    Molecular Weight
    469.5  g/mol
    InChI Key
    JOGKUKXHTYWRGZ-UHFFFAOYSA-N
    FDA UNII
    RUJ6Z9Y0DT
    Dactolisib is an orally bioavailable imidazoquinoline targeting the phosphatidylinositol 3 kinase (PI3K) and the mammalian target of rapamycin (mTOR), with potential antineoplastic activity. Dactolisib inhibits PI3K kinase and mTOR kinase in the PI3K/AKT/mTOR kinase signaling pathway, which may result in tumor cell apoptosis and growth inhibition in PI3K/mTOR-overexpressing tumor cells. 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
    2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
    2.1.2 InChI
    InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
    2.1.3 InChI Key
    JOGKUKXHTYWRGZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5
    2.2 Other Identifiers
    2.2.1 UNII
    RUJ6Z9Y0DT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile

    2. 2-methyl-2-(4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-1h-imidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile

    3. Bez235

    4. Nvp Bez235

    5. Nvp-bez235

    6. Nvpbez235

    2.3.2 Depositor-Supplied Synonyms

    1. 915019-65-7

    2. Nvp-bez235

    3. Bez235

    4. Nvp-bez 235

    5. Bez-235

    6. 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1h-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile

    7. Nvpbez235

    8. Bez 235

    9. Nvp-bez-235

    10. Nvp Bez235

    11. Bez235 (nvp-bez235)

    12. Rtb101

    13. Rtb-101

    14. Ruj6z9y0dt

    15. Nsc-751249

    16. Bez235 (nvp-bez235, Dactolisib)

    17. Chebi:71952

    18. 915019-65-7 (free Base)

    19. 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile

    20. S1009

    21. 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile

    22. Nvp-bez235-nx

    23. 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile

    24. 2-methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile.

    25. 2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1h-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile

    26. Dactolisib [usan]

    27. Dactolisib [usan:inn]

    28. Unii-ruj6z9y0dt

    29. Bez235(nvp-bez235)

    30. 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile

    31. 2-methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile

    32. Kinome_2911

    33. Ct-bez

    34. Dactolisib (bez235)

    35. Dactolisib; Bez-235

    36. Dactolisib [inn]

    37. Dactolisib (usan/inn)

    38. Nvp-bez235, Free Base

    39. Mtor Inhibitor, Bez235

    40. Dactolisib [who-dd]

    41. Schembl143623

    42. Gtpl7950

    43. Chembl1879463

    44. Bdbm92862

    45. Amy2877

    46. Dtxsid10238599

    47. Ex-a404

    48. Bcpp000344

    49. Hms3244g21

    50. Hms3244g22

    51. Hms3244h21

    52. Hms3672e19

    53. Act04718

    54. Bcp00216

    55. Bez235 - Nvp-bez235

    56. Mfcd10565944

    57. Nsc751249

    58. Nsc755807

    59. Nsc800085

    60. Zinc24760115

    61. Akos005217097

    62. Bcp9000397

    63. Ccg-207981

    64. Cs-0080

    65. Db11651

    66. Es-0038

    67. Nsc 751249

    68. Nsc-755807

    69. Nsc-800085

    70. Pb26555

    71. 2-methyl-2-[3-methyl-2-oxo-8-(3-quinolinyl)-1-imidazo[4,5-c]quinolinyl]propanenitrile

    72. Dactolisib (bez235, Nvp-bez235)

    73. Ncgc00187481-01

    74. Ncgc00187481-02

    75. Ncgc00187481-04

    76. Ncgc00187481-05

    77. Ncgc00187481-06

    78. Ncgc00187481-15

    79. 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

    80. 2-methyl-2-(4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-1h-imidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile

    81. Ac-25486

    82. Hy-50673

    83. Ft-0658563

    84. Ec-000.2325

    85. D10552

    86. J-509915

    87. Q4835503

    88. Brd-k12184916-001-01-4

    89. 1028385-31-0

    90. 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)phenyl)propionitrile

    91. 2-methyl-2-[4-[3-methyl-2-oxo-8-(3-quinolyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

    92. 4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1h-imidazo[4, 5-c]quinolin-1-yl]-.alpha.,.alpha.-dimethylbenzeneacetonitrile

    93. Benzeneacetonitrile, 4-(2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1h-imidazo(4,5-c)quinolin-1-yl)-alpha,alpha-dimethyl-

    2.4 Create Date
    2007-01-03
    3 Chemical and Physical Properties
    Molecular Weight 469.5 g/mol
    Molecular Formula C30H23N5O
    XLogP35.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass469.19026037 g/mol
    Monoisotopic Mass469.19026037 g/mol
    Topological Polar Surface Area73.1 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity872
    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

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

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