Please Wait
Applying Filters...
menu
    • menu
    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    Virtual Booth

    Contact Supplier

    dksh-m-2025-05-26

    Virtual Booth

    Contact Supplier

    dmfs-not-supported-m-2025-05-19

    Virtual Booth

    An Enquiry

    TAPI, a leading global supplier of APIs, provides over 350 products and customized CDMO solutions for every stage of development.

    Virtual Booth

    Contact Supplier

    LEBSA- Your strategic API source for niche molecules.

    Virtual Booth

    Contact Supplier

    jdmfs-not-supported-m-2025-04-28

    Virtual Booth

    An Enquiry

    Menu

    Zotiraciclib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Sb1317, Tg02, Tg-02, 1204918-72-8, Sb-1317, 937270-47-8
    Molecular Formula
    C23H24N4O
    Molecular Weight
    372.5  g/mol
    InChI Key
    VXBAJLGYBMTJCY-NSCUHMNNSA-N
    FDA UNII
    40D08182TT
    Zotiraciclib is under investigation in clinical trial NCT02942264 (Zotiraciclib (TG02) Plus Dose-dense or Metronomic Temozolomide Followed by Randomized Phase II Trial of Zotiraciclib (TG02) Plus Temozolomide Versus Temozolomide Alone in Adults With Recurrent Anaplastic Astrocytoma and Glioblastoma).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
    2.1.2 InChI
    InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
    2.1.3 InChI Key
    VXBAJLGYBMTJCY-NSCUHMNNSA-N
    2.1.4 Canonical SMILES
    CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1
    2.1.5 Isomeric SMILES
    CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1
    2.2 Other Identifiers
    2.2.1 UNII
    40D08182TT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene

    2. Sb1317

    3. Tg02

    2.3.2 Depositor-Supplied Synonyms

    1. Sb1317

    2. Tg02

    3. Tg-02

    4. 1204918-72-8

    5. Sb-1317

    6. 937270-47-8

    7. Sb-1317 Free Base

    8. (e/z)-zotiraciclib

    9. Zotiraciclib [usan]

    10. Ex 45

    11. Ex45

    12. Chembl1944698

    13. 40d08182tt

    14. Tg02 (sb1317)

    15. Zotiraciclib (usan)

    16. 20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 14-methyl-

    17. Tg02 (double Bond E)

    18. Zotiraciclib [inn]

    19. Schembl823947

    20. Tg02 [who-dd]

    21. Zotiraciclib [who-dd]

    22. Gtpl9095

    23. Schembl2298965

    24. Schembl17595943

    25. Unii-40d08182tt

    26. Ex-a239

    27. Dtxsid601337151

    28. 14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene

    29. Bcp07033

    30. Bdbm50363196

    31. Mfcd22124499

    32. Nsc762673

    33. Who 11186

    34. Zinc68251500

    35. Akos032950000

    36. Sb1317(tg-02)

    37. Cs-0884

    38. Nsc-762673

    39. Sb 1317

    40. Compound 26h [pmid: 22148278]

    41. Ncgc00378999-05

    42. 14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo [19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene

    43. Ac-33131

    44. Ac-35951

    45. Bs-14812

    46. Bs167349

    47. Hy-15166

    48. D11599

    49. Q27088971

    50. (e)-6-methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene

    51. (6e)-9-methyl-3-oxa-9,12-diaza-1(4,2)-pyrimidina-2,11(1,3)-dibenzenacyclododecaphan-6-ene

    52. 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene

    53. 20-oxa-5,7,14,27-tetraazatetracyclo(19.3.1.12,6.18,12)heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 14-methyl-, (16e)-

    2.4 Create Date
    2007-10-01
    3 Chemical and Physical Properties
    Molecular Weight 372.5 g/mol
    Molecular Formula C23H24N4O
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass372.19501140 g/mol
    Monoisotopic Mass372.19501140 g/mol
    Topological Polar Surface Area50.3 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity499
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1