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    Capivasertib

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Azd5363, 1143532-39-1, Azd-5363, Azd 5363, (s)-4-amino-n-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
    Molecular Formula
    C21H25ClN6O2
    Molecular Weight
    428.9  g/mol
    InChI Key
    JDUBGYFRJFOXQC-KRWDZBQOSA-N
    FDA UNII
    WFR23M21IE
    Capivasertib is a novel pyrrolopyrimidine derivative, and an orally available inhibitor of the serine/threonine protein kinase AKT (protein kinase B) with potential antineoplastic activity. Capivasertib binds to and inhibits all AKT isoforms. Inhibition of AKT prevents the phosphorylation of AKT substrates that mediate cellular processes, such as cell division, apoptosis, and glucose and fatty acid metabolism. A wide range of solid and hematological malignancies show dysregulated PI3K/AKT/mTOR signaling due to mutations in multiple signaling components. By targeting AKT, the key node in the PIK3/AKT signaling network, this agent may be used as monotherapy or combination therapy for a variety of human cancers.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
    2.1.2 InChI
    InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1
    2.1.3 InChI Key
    JDUBGYFRJFOXQC-KRWDZBQOSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1(C(=O)NC(CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
    2.1.5 Isomeric SMILES
    C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
    2.2 Other Identifiers
    2.2.1 UNII
    WFR23M21IE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-amino-n-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)piperidine-4-carboxamide

    2. Azd5363

    2.3.2 Depositor-Supplied Synonyms

    1. Azd5363

    2. 1143532-39-1

    3. Azd-5363

    4. Azd 5363

    5. (s)-4-amino-n-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

    6. 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

    7. Wfr23m21ie

    8. 4-piperidinecarboxamide, 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-

    9. 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide

    10. Unii-wfr23m21ie

    11. Chembl2325741

    12. Cc-638

    13. Capivasertib?

    14. 4-amino-n-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)piperidine-4-carboxamide

    15. 4-piperidinecarboxamide, 4-amino-n-((1s)-1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-

    16. Capivasertib (jan/usan)

    17. Capivasertib [inn]

    18. Capivasertib [jan]

    19. Capivasertib [usan]

    20. Capivasertib (azd5363)

    21. Mls006011179

    22. Capivasertib [who-dd]

    23. Schembl390243

    24. Gtpl7709

    25. Azc5363

    26. Dtxsid40150710

    27. Ex-a285

    28. Us10654855, Example 9

    29. Bdbm443385

    30. Mfcd22628785

    31. Nsc764039

    32. Nsc782347

    33. Nsc799347

    34. S8019

    35. Zinc43204023

    36. Akos027323693

    37. Bcp9000365

    38. Ccg-268989

    39. Cs-1284

    40. Db12218

    41. Nsc-764039

    42. Nsc-782347

    43. Nsc-799347

    44. Ncgc00345795-01

    45. Ncgc00345795-04

    46. Ac-32685

    47. Hy-15431

    48. Smr004702948

    49. Bcp0726000111

    50. A1387

    51. Sw220158-1

    52. D11371

    53. J-514447

    54. Q27074756

    55. 0xz

    56. 4-amino-n-((1s)-1-(4-chlorophenyl)-3-hydroxypropyl)-1- (1h-pyrrolo(2,3-d)pyrimidin-4-yl)piperidine-4-carboxamide

    57. Alternative Route 1: (s)-4-amino-n-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

    2.4 Create Date
    2009-04-28
    3 Chemical and Physical Properties
    Molecular Weight 428.9 g/mol
    Molecular Formula C21H25ClN6O2
    XLogP31.7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass428.1727518 g/mol
    Monoisotopic Mass428.1727518 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity580
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of breast cancer , Treatment of prostate cancer