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    Olverembatinib

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 1257628-77-5, Gzd824, Olverembatinib, Gzd-824, Hqp1351, Olverembatinib [usan]
    Molecular Formula
    C29H27F3N6O
    Molecular Weight
    532.6  g/mol
    InChI Key
    TZKBVRDEOITLRB-UHFFFAOYSA-N
    FDA UNII
    KV1M7Q3CBP
    Olverembatinib is an orally bioavailable inhibitor of a variety of kinases, including the Bcr-Abl tyrosine kinase, the mast/stem cell growth factor receptor Kit (c-Kit), the serine/threonine protein kinase Akt (protein kinase B), and the extracellular signal-regulated kinase (ERK) with antineoplastic activity. Upon administration,olverembatinib targets, binds to and inhibits the kinase activities of Bcr-Abl, AKT, c-Kit and ERK. This inhibits their mediated signaling pathways and inhibits proliferation of tumor cells in which these kinases are overexpressed and/or mutated. Bcr-Abl, c-Kit, AKT and ERK play key roles in the proliferation, differentiation and survival of tumor cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
    2.1.2 InChI
    InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)
    2.1.3 InChI Key
    TZKBVRDEOITLRB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4
    2.2 Other Identifiers
    2.2.1 UNII
    KV1M7Q3CBP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-((1h-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)-4-methyl-n-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

    2. 4-methyl-n-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1h-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)benzamide

    3. Benzamide, 4-methyl-n-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1h-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)-, Methanesulfonate (1:2)

    4. D-824

    5. D-824 Dimesylate

    6. D824

    7. Gzd-824

    8. Gzd-824 Dimesylate

    9. Gzd824

    10. Hqp-1351

    11. Hqp-1351 Dimesylate

    12. Hqp1351

    13. Hqp1351 Dimesylate

    14. Olverembatinib

    15. Olverembatinib Dimesylate

    2.3.2 Depositor-Supplied Synonyms

    1. 1257628-77-5

    2. Gzd824

    3. Olverembatinib

    4. Gzd-824

    5. Hqp1351

    6. Olverembatinib [usan]

    7. Hqp-1351

    8. Kv1m7q3cbp

    9. 4-methyl-n-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide

    10. Chembl2316582

    11. D-824

    12. Gzd 824

    13. Benzamide, 4-methyl-n-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]-

    14. Olverembatinib Dimesylate

    15. Hqp1351 Dimesylate

    16. Hqp-1351 Dimesylate

    17. 4-methyl-n-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1h-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)benzamide

    18. Benzamide, 4-methyl-n-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1h-pyrazolo(3,4-b)pyridin-5-yl)ethynyl)-

    19. 4-methyl-n-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide

    20. 4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{1h-pyrazolo[3,4-b]pyridin-5-yl}ethynyl)benzamide

    21. Hqp1351 Free Base

    22. Hqp-1351 Free Base

    23. Unii-kv1m7q3cbp

    24. Olverembatinib [inn]

    25. Schembl3424528

    26. Olverembatinib [who-dd]

    27. Gtpl10630

    28. Ex-a829

    29. Bcp07502

    30. Bdbm50425780

    31. Who 11221

    32. Zinc95594040

    33. Akos026750647

    34. Cs-1444

    35. Sb16617

    36. Compound 10a [pmid: 23301703]

    37. Ncgc00351607-06

    38. Ac-35436

    39. As-75170

    40. Hy-15666

    41. Ft-0700150

    42. A16264

    43. C72036

    44. A899056

    45. J-690110

    2.4 Create Date
    2011-04-25
    3 Chemical and Physical Properties
    Molecular Weight 532.6 g/mol
    Molecular Formula C29H27F3N6O
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass532.21984399 g/mol
    Monoisotopic Mass532.21984399 g/mol
    Topological Polar Surface Area77.2 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity910
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1