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    Deupirfenidone

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 99,600Xls

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    2D Structure
    Also known as: 1qc36bhi6s, Lyt-100, 1093951-85-9, 2(1h)-pyridinone, 5-(methyl-d3)-1-phenyl-, 1-phenyl-5-(trideuteriomethyl)-1,2-dihydropyridin-2-one, Deupirfenidone [usan]
    Molecular Formula
    C12H11NO
    Molecular Weight
    188.24  g/mol
    InChI Key
    ISWRGOKTTBVCFA-FIBGUPNXSA-N
    FDA UNII
    1QC36BHI6S
    Deupirfenidone is an orally bioavailable and deuterated form of the synthetic antifibrotic agent pirfenidone, with potential anti-inflammatory and anti-fibrotic activities. Upon administration, deupirfenidone inhibits a variety of pro-inflammatory mediators, such as interleukin-6 (IL-6), tumor necrosis factor-alpha (TNF-a) and transforming growth factor-beta (TGF-b). This may reduce fibrosis, inflammation and infection, and may repair the impaired lymphatic flow, decrease lymphedema and restore lymphatic function. In the lungs, deupirfenidone may abrogate impaired lung function, lymphoedema and pulmonary fibrosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-phenyl-5-(trideuteriomethyl)pyridin-2-one
    2.1.2 InChI
    InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D3
    2.1.3 InChI Key
    ISWRGOKTTBVCFA-FIBGUPNXSA-N
    2.1.4 Canonical SMILES
    CC1=CN(C(=O)C=C1)C2=CC=CC=C2
    2.1.5 Isomeric SMILES
    [2H]C([2H])([2H])C1=CN(C(=O)C=C1)C2=CC=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    1QC36BHI6S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-phenyl-5-(trideuteriomethyl)-1,2-dihydropyridin-2-one

    2. 5-methyl-1-phenyl-2-(1h)-pyridone

    3. Deskar

    4. Esbriet

    5. Pirfenidone

    2.3.2 Depositor-Supplied Synonyms

    1. 1qc36bhi6s

    2. Lyt-100

    3. 1093951-85-9

    4. 2(1h)-pyridinone, 5-(methyl-d3)-1-phenyl-

    5. 1-phenyl-5-(trideuteriomethyl)-1,2-dihydropyridin-2-one

    6. Deupirfenidone [usan]

    7. Unii-1qc36bhi6s

    8. Lyt100

    9. Schembl4059454

    10. Deupirfenidone [who-dd]

    11. Sd-560

    12. Who 12460

    13. At18410

    2.4 Create Date
    2009-02-09
    3 Chemical and Physical Properties
    Molecular Weight 188.24 g/mol
    Molecular Formula C12H11NO
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass188.102894212 g/mol
    Monoisotopic Mass188.102894212 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity285
    Isotope Atom Count3
    Defined Atom Stereocenter Count0
    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

    Analgesics

    Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)