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    Adavosertib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 29,200Xls

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    2D Structure
    Also known as: Mk-1775, 955365-80-7, Mk1775, Mk 1775, Azd1775, Azd-1775
    Molecular Formula
    C27H32N8O2
    Molecular Weight
    500.6  g/mol
    InChI Key
    BKWJAKQVGHWELA-UHFFFAOYSA-N
    FDA UNII
    K2T6HJX3I3
    Adavosertib is a small molecule inhibitor of the tyrosine kinase WEE1 with potential antineoplastic sensitizing activity. Adavosertib selectively targets and inhibits WEE1, a tyrosine kinase that phosphorylates cyclin-dependent kinase 1 (CDK1, CDC2) to inactivate the CDC2/cyclin B complex. Inhibition of WEE1 activity prevents the phosphorylation of CDC2 and impairs the G2 DNA damage checkpoint. This may lead to apoptosis upon treatment with DNA damaging chemotherapeutic agents. Unlike normal cells, most p53 deficient or mutated human cancers lack the G1 checkpoint as p53 is the key regulator of the G1 checkpoint and these cells rely on the G2 checkpoint for DNA repair to damaged cells. Annulment of the G2 checkpoint may therefore make p53 deficient tumor cells more vulnerable to antineoplastic agents and enhance their cytotoxic effect.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
    2.1.2 InChI
    InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
    2.1.3 InChI Key
    BKWJAKQVGHWELA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    K2T6HJX3I3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3h-pyrazolo(3,4-d)pyrimidin-3-one

    2. 3h-pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-

    3. Azd 1775

    4. Azd-1775

    5. Azd1775

    6. Mk 1775

    7. Mk-1775

    8. Mk1775

    2.3.2 Depositor-Supplied Synonyms

    1. Mk-1775

    2. 955365-80-7

    3. Mk1775

    4. Mk 1775

    5. Azd1775

    6. Azd-1775

    7. Azd 1775

    8. 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

    9. 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1h-pyrazolo[3,4-d]pyrimidin-3(2h)-one

    10. 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1h-pyrazolo[3,4-d]pyrimidin-3(2h)-one

    11. K2t6hjx3i3

    12. Mfcd17215200

    13. Adavosertib (usan)

    14. 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one

    15. Adavosertib [usan]

    16. 3h-pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-

    17. 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one

    18. 3h-pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-

    19. Unii-k2t6hjx3i3

    20. 8x7

    21. Kinome_2656

    22. Adavosertib [inn]

    23. Adavosertib (mk-1775)

    24. Adavosertib [who-dd]

    25. Mls006011025

    26. Gtpl7702

    27. Schembl1504444

    28. Chembl1976040

    29. Chebi:91414

    30. Dtxsid30241868

    31. Ex-a331

    32. Hms3295k03

    33. Hms3654h20

    34. Hms3744i13

    35. Bcp01928

    36. Bdbm50240826

    37. Mk-1775 (wee-1)

    38. Nsc754352

    39. Nsc800793

    40. S1525

    41. Zinc63539231

    42. Akos024259153

    43. Mk-1775(azd-1775,adavosertib)

    44. Adavosertib Pound Mk-1775 Pound(c)

    45. Am90274

    46. Bcp9000937

    47. Ccg-264905

    48. Cs-0105

    49. Db11740

    50. Nsc-754352

    51. Nsc-800793

    52. Sb16663

    53. Ncgc00263183-01

    54. Ncgc00263183-09

    55. Ncgc00263183-10

    56. 2-allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3h-pyrazolo(3,4-d)pyrimidin-3-one

    57. 2-allyl-1-[6-(2-hydroxy-2-propyl)-2-pyridyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]pyrazolo[3,4-d]pyrimidin-3(2h)-one

    58. Ac-28416

    59. As-17001

    60. Bm161385

    61. Hy-10993

    62. Smr004702820

    63. Sy258875

    64. Ft-0699265

    65. Sw218122-2

    66. D11361

    67. Brd-k54256913-001-01-2

    68. Q27074716

    69. 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-3h-pyrazolo(3,4-d)pyrimidin-3-one

    70. 1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)anilino)-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo(3,4-d)pyrimidin-3-one

    71. 1075739-30-8

    72. 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1h-pyrazo

    73. 2-allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one

    74. 2-allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one

    2.4 Create Date
    2008-07-28
    3 Chemical and Physical Properties
    Molecular Weight 500.6 g/mol
    Molecular Formula C27H32N8O2
    XLogP33.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass500.26482229 g/mol
    Monoisotopic Mass500.26482229 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity795
    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.)