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    Chemistry

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    Also known as: Bpn14770, Zatolmilast, 1606974-33-7, Bpn-14770, Zatolmilast [usan], Chembl4541964
    Molecular Formula
    C21H15ClF3NO2
    Molecular Weight
    405.8  g/mol
    InChI Key
    LTSUMTMGJHPGFX-UHFFFAOYSA-N
    FDA UNII
    G786V328X6
    Zatolmilast
    1 2D Structure

    Zatolmilast

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic acid
    2.1.2 InChI
    InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
    2.1.3 InChI Key
    LTSUMTMGJHPGFX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)Cl)C2=NC(=CC(=C2)CC3=CC=C(C=C3)CC(=O)O)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    G786V328X6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bpn14770

    2.3.2 Depositor-Supplied Synonyms

    1. Bpn14770

    2. Zatolmilast

    3. 1606974-33-7

    4. Bpn-14770

    5. Zatolmilast [usan]

    6. Chembl4541964

    7. G786v328x6

    8. (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic Acid

    9. 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic Acid

    10. Benzeneacetic Acid, 4-((2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl)methyl)-

    11. 2-(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic Acid

    12. Zatolmilast [inn]

    13. Schembl15660260

    14. Unii-g786v328x6

    15. Gtpl10451

    16. Ex-a5653

    17. Bdbm50524994

    18. S6844

    19. Who 11495

    20. Compound 28 [pmid: 31013090]

    21. Hy-117571

    22. Cs-0066529

    23. Kr7

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 405.8 g/mol
    Molecular Formula C21H15ClF3NO2
    XLogP35.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass405.0743409 g/mol
    Monoisotopic Mass405.0743409 g/mol
    Topological Polar Surface Area50.2 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity522
    Isotope Atom Count0
    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

    Phosphodiesterase 4 Inhibitors

    Compounds that specifically inhibit PHOSPHODIESTERASE 4. (See all compounds classified as Phosphodiesterase 4 Inhibitors.)

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