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    Nirogacestat

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Pf-03084014, 1290543-63-3, Pf-3084014, 865773-15-5, Pf 3084014, Nirogacestat [usan]
    Molecular Formula
    C27H41F2N5O
    Molecular Weight
    489.6  g/mol
    InChI Key
    VFCRKLWBYMDAED-REWPJTCUSA-N
    FDA UNII
    QZ62892OFJ
    Nirogacestat is a selective gamma secretase (GS) inhibitor with potential antitumor activity. Nirogacestat binds to GS, blocking proteolytic activation of Notch receptors; Notch signaling pathway inhibition may follow, which may result in the induction of apoptosis in tumor cells that overexpress Notch. The integral membrane protein GS is a multi-subunit protease complex that cleaves single-pass transmembrane proteins, such as Notch receptors, at residues within their transmembrane domains. Overexpression of the Notch signaling pathway has been correlated with increased tumor cell growth and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
    2.1.2 InChI
    InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
    2.1.3 InChI Key
    VFCRKLWBYMDAED-REWPJTCUSA-N
    2.1.4 Canonical SMILES
    CCCC(C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)NC2CCC3=C(C2)C(=CC(=C3)F)F
    2.1.5 Isomeric SMILES
    CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    QZ62892OFJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-3-ylamino)-n-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1h-imidazol-4-yl)pentanamide

    2. Pf 03084014

    3. Pf 3084014

    4. Pf-03084014

    5. Pf-3084014

    6. Pf03084014

    7. Pf3084014

    2.3.2 Depositor-Supplied Synonyms

    1. Pf-03084014

    2. 1290543-63-3

    3. Pf-3084014

    4. 865773-15-5

    5. Pf 3084014

    6. Nirogacestat [usan]

    7. Pf 03084014

    8. Pf3084014

    9. Qz62892ofj

    10. (s)-2-(((s)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-n-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1h-imidazol-4-yl)pentanamide

    11. (2s)-2-[[(2s)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-n-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide

    12. Pf-03084014 (pf-3084014)

    13. (s)-2-((s)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-ylamino)-n-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1h-imidazol-4-yl)pentanamide

    14. Unii-qz62892ofj

    15. Nirogacestat (usan/inn)

    16. Nirogacestat [inn]

    17. Z-3181

    18. Nirogacestat [who-dd]

    19. Gtpl7746

    20. Chembl1770916

    21. Schembl13184754

    22. Dtxsid60235679

    23. Ex-a855

    24. Pf-3084014 (y-secratase)

    25. Hms3886p21

    26. Bdbm50458159

    27. Mfcd19980705

    28. Nsc754348

    29. S8018

    30. Zinc38217837

    31. Akos030526383

    32. Ccg-269609

    33. Cs-1689

    34. Db12005

    35. Nsc-754348

    36. Ncgc00378713-01

    37. 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-3-ylamino)-n-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1h-imidazol-4-yl)pentanamide

    38. Ac-36191

    39. As-56178

    40. Hy-15185

    41. Pf-03084014-pf-3084014

    42. A11993

    43. D10960

    44. F17429

    45. A910640

    46. Nirogacestat (pf-03084014, Pf-3084014)

    47. Q27088329

    48. Pf-03084014;pf-3084014;865773-15-5;

    49. (2s)-2-(((2s)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)amino)-n-(1-(2-((2,2-dimethylpropyl)amino)-1,1-dimethylethyl)-1h-imidazol-4-yl)pentanamide

    50. (2s)-2-{[(2s)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino}-n-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1h-imidazol-4-yl)pentanamide

    51. Pentanamide, 2-(((2s)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)amino)-n-(1-(2-((2,2-dimethylpropyl)amino)-1,1-dimethylethyl)-1h-imidazol-4-yl)-, (2s)-

    52. Pentanamide, 2-((6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)amino)-n-(1-(2-((2,2-dimethylpropyl)amino)-1,1-dimethylethyl)-1h-imidazol-4-yl)-, (2s)-

    53. Pentanamide, 2-[(6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)amino]-n-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1h-imidazol-4-yl]-, (2s)

    2.4 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 489.6 g/mol
    Molecular Formula C27H41F2N5O
    XLogP34.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass489.32791727 g/mol
    Monoisotopic Mass489.32791727 g/mol
    Topological Polar Surface Area71 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity685
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Gamma Secretase Inhibitors and Modulators

    Agents that suppress GAMMA-SECRETASE by inhibiting or modulating its activities. Targeted enzymatic activities include its involvement in accumulation of toxic AMYLOID BETA-PEPTIDES (e.g., Aβ42) in ALZHEIMER DISEASE and activation of NOTCH RECEPTOR mediated SIGNAL PATHWAYS in certain cancer types. (See all compounds classified as Gamma Secretase Inhibitors and Modulators.)