loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Zotiraciclib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. 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
    Post Enquiry
    POST ENQUIRY