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    Brensocatib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Azd7986, 1802148-05-5, Ins1007, (s)-n-((s)-1-cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide, Brensocatib [usan], Azd 7986
    Molecular Formula
    C23H24N4O4
    Molecular Weight
    420.5  g/mol
    InChI Key
    AEXFXNFMSAAELR-RXVVDRJESA-N
    FDA UNII
    25CG88L0BB
    Brensocatib is an orally bioavailable, small molecule, reversible inhibitor of dipeptidyl peptidase 1 (DPP1), with potential anti-inflammatory activity. Upon oral administration, brensocatib reversibly binds to and inhibits the activity of DPP1, thereby inhibiting the activation of neutrophil serine proteases (NSPs), including neutrophil elastase (NE), during neutrophil maturation. This inhibits the activity of NSPs, and may prevent lung inflammation and injury and improve lung function associated with NSPs-induced respiratory diseases. NSPs, serine proteases released by neutrophils during inflammation, is upregulated in a number of respiratory diseases.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
    2.1.2 InChI
    InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
    2.1.3 InChI Key
    AEXFXNFMSAAELR-RXVVDRJESA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)CC(C#N)NC(=O)C4CNCCCO4)OC1=O
    2.1.5 Isomeric SMILES
    CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)OC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    25CG88L0BB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azd7986

    2. Ins-1007

    3. Ins1007

    4. N-(1-cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo(d)oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide

    2.3.2 Depositor-Supplied Synonyms

    1. Azd7986

    2. 1802148-05-5

    3. Ins1007

    4. (s)-n-((s)-1-cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide

    5. Brensocatib [usan]

    6. Azd 7986

    7. Azd-7986

    8. Ins-1007

    9. 25cg88l0bb

    10. Chembl3900409

    11. (2s)-n-[(1s)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide

    12. (s)-n-((s)-1-cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo-(d)oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide

    13. 1,4-oxazepine-2-carboxamide, N-((1s)-1-cyano-2-(4-(2,3-dihydro-3-methyl-2-oxo-5-benzoxazolyl)phenyl)ethyl)hexahydro-, (2s)-

    14. Ins 1007

    15. Brensocatib [inn]

    16. Unii-25cg88l0bb

    17. Brensocatib [who-dd]

    18. Gtpl9412

    19. Schembl16932317

    20. Ex-a1866

    21. Bdbm50195235

    22. Pz1130

    23. Who 11097

    24. Ac-36222

    25. As-84225

    26. Bb177302

    27. Hy-101056

    28. Cs-0020766

    29. J3.556.230c

    30. A17095

    31. D84088

    32. A937370

    33. (2s)-n-{(1s)-1-cyano-2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]ethyl}-1,4-oxazepane-2-carboxamide

    34. (s)-3-[4-(2-oxo-3-methyl-2,3-dihydrobenzoxazole-5-yl)phenyl]-2-[(hexahydro-1,4-oxazepine-2alpha-yl)carbonylamino]propanenitrile

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 420.5 g/mol
    Molecular Formula C23H24N4O4
    XLogP32
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass420.17975526 g/mol
    Monoisotopic Mass420.17975526 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity699
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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

    Treatment of non-cystic fibrosis bronchiectasis