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    Ensifentrine

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Rpl-554, 298680-25-8, Rpl554, 1884461-72-6, Ensifentrine [inn], Ensifentrine [usan]
    Molecular Formula
    C26H31N5O4
    Molecular Weight
    477.6  g/mol
    InChI Key
    CSOBIBXVIYAXFM-UHFFFAOYSA-N
    FDA UNII
    3E3D8T1GIX
    Ensifentrine is an inhaled inhibitor of the phosphodiesterase (PDE) types 3 (PDE3) and 4 (PDE4), with potential anti-inflammatory and bronchodilator activities. Upon administration, ensifentrine targets, binds to and inhibits PDE3 and PDE4, which leads to an increase of both intracellular levels of cyclic-3',5'-adenosine monophosphate (cAMP) and cAMP-mediated signaling. This may lead to bronchial smooth muscle relaxation and modulate inflammatory responses. PDE3 and PDE4, members of the PDE superfamily, hydrolyze cAMP and 3',5'-cyclic guanosine monophosphate (cGMP) to their inactive 5' monophosphates. PDE3 is the most expressed PDE isoenzyme in bronchial smooth muscle. PDE4 is expressed in immune cells including T-cells, monocytes, macrophages, neutrophils, dendritic cells and eosinophils. It plays an important role in inflammation, especially in inflammatory airway diseases.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea
    2.1.2 InChI
    InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)
    2.1.3 InChI Key
    CSOBIBXVIYAXFM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2CCNC(=O)N)OC)OC)C
    2.2 Other Identifiers
    2.2.1 UNII
    3E3D8T1GIX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9,10-dimethoxy-2-(2,4,6-trimethylphenylimino)-3-(n-carbamoyl-2-aminoethyl)-3,4,6,7-tetrahydro-2h-pyrimidino(6,1-a)isoquinolin-4-one

    2. Rpl 554

    3. Rpl-554

    4. Rpl554

    2.3.2 Depositor-Supplied Synonyms

    1. Rpl-554

    2. 298680-25-8

    3. Rpl554

    4. 1884461-72-6

    5. Ensifentrine [inn]

    6. Ensifentrine [usan]

    7. Ls-193855

    8. 3e3d8t1gix

    9. Ls-193,855

    10. A]isoquinolin-3(4h)-yl}ethyl)urea

    11. (e)-1-(2-(2-(mesitylimino)-9,10-dimethoxy-4-oxo-6,7-dihydro-2h-pyrimido[6,1-a]isoquinolin-3(4h)-yl)ethyl)urea

    12. 2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea

    13. Trimethylphenyl)imino]-6,7-dihydro-2h-pyrimido[6,1-

    14. N-(2-{(2e)-9,10-dimethoxy-4-oxo-2-[(2,4,6-

    15. 2-(9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido(6,1-a)isoquinolin-3-yl)ethylurea

    16. N-(2-((2e)-9,10-dimetoxi-4-oxo-2-((2,4,6-trimetilfenil)imino)-6,7-dihidro-2h-pirimido(6,1-a)isoquinolein-3(4h)-il)etil)urea

    17. Urea, N-(2-(6,7-dihydro-9,10-dimethoxy-4-oxo-2-((2,4,6-trimethylphenyl)imino)-2h-pyrimido(6,1-a)isoquinolin-3(4h)-yl)ethyl)-

    18. Unii-3e3d8t1gix

    19. Vmx-554

    20. Rpl-554;ensifentrinum

    21. Ensifentrine (usan/inn)

    22. Ensifentrine [who-dd]

    23. Schembl625876

    24. Chembl4594287

    25. Schembl20720900

    26. Gtpl11865

    27. Dtxsid00183983

    28. Bcp31840

    29. Ex-a6633

    30. Who 10726

    31. Sb19810

    32. D11743

    33. A937318

    34. Q7277486

    35. Ensifentrina; Ensifentrinum;rpl-554;rpl554;rpl 554

    36. 9,10-dimethoxy-2-(2,4,6-trimethylphenylimino)-3-(n-carbamoyl-2-aminoethyl)-3,4,6,7-tetrahydro-2h-pyrimidino(6,1-a)isoquinolin-4-one

    37. 9,10-dimethoxy-2-(2,4,6-trimethylphenylimino)-3-(n-carbamoyl-2-aminoethyl)-3,4,6,7-tetrahydro-2h-pyrimido[6,1-a]isoquinolin-4-one

    38. 9,10-dimethoxy-2-(2,4,6-trimethylphenylimino)3-(n-carbamoyl-2-aminoethyl)-3,4,6,7-tetrahydro-2h-pyrimido[6,1-a]isoquinolin-4-one

    39. 9,10-dimethoxy-2-(2.4.6-trimethylphenylimino)-3-(n-carbamoyl-2-aminoethyl)-3,4,6,7-tetrahydro-2h-pyrimido[6.1-a]isoquinolin-4-one

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 477.6 g/mol
    Molecular Formula C26H31N5O4
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass477.23760449 g/mol
    Monoisotopic Mass477.23760449 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity849
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1