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    Telaglenastat

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Cb-839, 1439399-58-2, Telaglenastat [usan], Cb839, Cb 839, 2-(pyridin-2-yl)-n-(5-(4-(6-(2-(3-(trifluoromethoxy)phenyl)acetamido)pyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)acetamide
    Molecular Formula
    C26H24F3N7O3S
    Molecular Weight
    571.6  g/mol
    InChI Key
    PRAAPINBUWJLGA-UHFFFAOYSA-N
    FDA UNII
    U6CL98GLP4
    Telaglenastat is an orally bioavailable inhibitor of glutaminase, with potential antineoplastic activity. Upon oral administration, CB-839 selectively and irreversibly inhibits glutaminase, a mitochondrial enzyme that is essential for the conversion of the amino acid glutamine into glutamate. By blocking glutamine utilization, proliferation in rapidly growing cells is impaired. Glutamine-dependent tumors rely on the conversion of exogenous glutamine into glutamate and glutamate metabolites to both provide energy and generate building blocks for the production of macromolecules, which are needed for cellular growth and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
    2.1.2 InChI
    InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
    2.1.3 InChI Key
    PRAAPINBUWJLGA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    U6CL98GLP4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cb-839

    2.3.2 Depositor-Supplied Synonyms

    1. Cb-839

    2. 1439399-58-2

    3. Telaglenastat [usan]

    4. Cb839

    5. Cb 839

    6. 2-(pyridin-2-yl)-n-(5-(4-(6-(2-(3-(trifluoromethoxy)phenyl)acetamido)pyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)acetamide

    7. U6cl98glp4

    8. N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

    9. 2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide

    10. 2-pyridineacetamide, N-(5-(4-(6-((2-(3-(trifluoromethoxy)phenyl)acetyl)amino)-3-pyridazinyl)butyl)-1,3,4-thiadiazol-2-yl)-

    11. 2-(pyridin-2-yl)-n-{5-[4-(6-{2-[3-(trifluoromethoxy)phenyl]acetamido}pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl}acetamide

    12. 2-pyridineacetamide, N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-

    13. 63j

    14. N-(6-(4-(5-(2-(pyridin-2-yl)acetamido)-1,3,4-thiadiazol-2-yl)butyl)pyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide

    15. N-[6-(4-{5-[2-(pyridin-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}butyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

    16. Cb-839(telaglenastat)

    17. Unii-u6cl98glp4

    18. Telaglenastat [inn]

    19. Telaglenastat (usan/inn)

    20. Telaglenastat [who-dd]

    21. Gtpl9053

    22. Cb-839 [who-dd]

    23. Chembl3639788

    24. Schembl14987180

    25. Bdbm109086

    26. Hms3741e19

    27. Hms3873g13

    28. Amy16835

    29. Bcp28287

    30. Ex-a1310

    31. Mfcd28167826

    32. Nsc783415

    33. Nsc795998

    34. Nsc798057

    35. S7655

    36. Who 10815

    37. Akos025396175

    38. Zinc169698697

    39. Ccg-270102

    40. Cs-3393

    41. Db15232

    42. Nsc-783415

    43. Nsc-795998

    44. Nsc-798057

    45. Sb17221

    46. Ncgc00356145-11

    47. 2-?pyridineacetamide, N-?[5-?[4-?[6-?[[2-?[3-?(trifluoromethoxy)?phenyl]?acetyl]?amino]?-?3-?pyridaz

    48. Ac-31603

    49. As-75090

    50. Cb839; Cb 839 Pound>>telaglenastat,

    51. Da-34988

    52. Hy-12248

    53. Ft-0767818

    54. A14396

    55. D11738

    56. A857288

    57. Us8604016, 670

    58. Q27075751

    59. 2-?pyridineacetamide, N-?[5-?[4-?[6-?[[2-?[3-?(trifluoromethoxy)?phenyl]?acetyl]?amino]?-?3-?pyridazinyl]?butyl]?-?1,?3,?4-?thiadiazol-?2-?yl]?-

    60. N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridineacetamide

    61. N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridineacetamide;cb-839

    2.4 Create Date
    2013-07-01
    3 Chemical and Physical Properties
    Molecular Weight 571.6 g/mol
    Molecular Formula C26H24F3N7O3S
    XLogP33.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count12
    Exact Mass571.16134331 g/mol
    Monoisotopic Mass571.16134331 g/mol
    Topological Polar Surface Area160 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity812
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1