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    SNX-5422(PF04929113)

    PharmaCompass
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    2D Structure
    Also known as: 908115-27-5, Pf-04929113, Snx 5422, Pf-4929113, Pf 04929113, Snx5422
    Molecular Formula
    C25H30F3N5O4
    Molecular Weight
    521.5  g/mol
    InChI Key
    AVDSOVJPJZVBTC-UHFFFAOYSA-N
    FDA UNII
    BF52J69Q8T
    SNX-5422 is a synthetic, novel, small molecule Hsp90 Inhibitor. As an oral formulation that demonstrates strong efficacy and tolerability, SNX-5422 is positioned as a breakthrough therapy with broad applicability across a wide range of cancers.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate
    2.1.2 InChI
    InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)
    2.1.3 InChI Key
    AVDSOVJPJZVBTC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C
    2.2 Other Identifiers
    2.2.1 UNII
    BF52J69Q8T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Glycine Trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl)phenyl)amino)cyclohexyl Ester

    2. Pf 04929113

    3. Pf-04929113

    4. Pf-4929113

    5. Pf04929113

    6. Snx-5422 Mesylate

    2.3.2 Depositor-Supplied Synonyms

    1. 908115-27-5

    2. Pf-04929113

    3. Snx 5422

    4. Pf-4929113

    5. Pf 04929113

    6. Snx5422

    7. Pf04929113

    8. Pf-04929113 (snx-5422)

    9. Pf-04929113 Free Base

    10. Bf52j69q8t

    11. 908115-27-5 (free Base)

    12. (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl)phenyl)amino)cyclohexyl Glycinate

    13. [4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetate

    14. Glycine, Trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl)phenyl)amino)cyclohexyl Ester

    15. 908116-67-6

    16. Glycine, 4-[[2-(aminocarbonyl)-5-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl]phenyl]amino]cyclohexyl Ester

    17. Unii-bf52j69q8t

    18. Mls006011083

    19. Schembl1220790

    20. Schembl1220791

    21. Chembl1195136

    22. Schembl15604989

    23. Dtxsid50238270

    24. Snx 5422 [who-dd]

    25. Bcpp000065

    26. Hms3656b09

    27. Bcp02427

    28. Ex-a2343

    29. Bdbm50514916

    30. Nsc768509

    31. S2656

    32. Zinc95616595

    33. Akos027276395

    34. Zinc100071931

    35. Zinc252517142

    36. Ccg-269865

    37. Cs-0272

    38. Db06070

    39. Nsc-768509

    40. Sb16643

    41. Ncgc00346640-01

    42. Ncgc00346640-04

    43. Ncgc00386184-02

    44. Ac-36033

    45. Hy-10213

    46. Smr004702871

    47. Sw220153-1

    48. Snx-5422(pf04929113)

    49. Pf-0492911 - Snx-5422

    50. Pf-04929113; Snx-5422

    51. A857805

    52. J-521414

    53. Brd-k73197500-066-01-7

    54. Q27274626

    55. (1r,4r)-4-(2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl)phenylamino)cyclohexyl 2-aminoacetate

    56. Glycine Trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl)phenyl)amino)cycloh Exyl Ester

    57. Glycine Trans-4-[[2-(aminocarbonyl)-5-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl]phenyl]amino]cyclohexyl Ester;pf-04929113

    58. Trans-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl)phenyl)amino)cyclohexyl 2-aminoacetate

    2.4 Create Date
    2009-09-16
    3 Chemical and Physical Properties
    Molecular Weight 521.5 g/mol
    Molecular Formula C25H30F3N5O4
    XLogP33.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass521.22498894 g/mol
    Monoisotopic Mass521.22498894 g/mol
    Topological Polar Surface Area142 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity877
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Investigated for use/treatment in cancer/tumors (unspecified).

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    SNX-5422 is under development by Serenex. It is orally administered (pill form). Once in the body, SNX-5422 is converted to SNX-2122; that is, SNX-5422 is a prodrug of SNX-2112, which is the active form.

    5.2 Mechanism of Action

    SNX-5422 is a direct, potent inhibitor of Hsp90 across a broad range of human cancer cell lines and causes degradation of important Hsp90 client proteins including HER2, AKT and ERK.