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    Darigabat

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Pf-06372865, 1614245-70-3, Darigabat [inn], Darigabat [usan], Cvl-865, O9bp19hz3q
    Molecular Formula
    C22H21FN4O3S
    Molecular Weight
    440.5  g/mol
    InChI Key
    PTTQXDBPTFOCMT-UHFFFAOYSA-N
    FDA UNII
    O9BP19HZ3Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
    2.1.2 InChI
    InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3
    2.1.3 InChI Key
    PTTQXDBPTFOCMT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN1C=NC2=C1N=NC=C2C3=CC(=C(C=C3)F)C4=C(C=C(C=C4)S(=O)(=O)CC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    O9BP19HZ3Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-ethyl-4-(3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl)imidazo(4,5-c)pyridazine

    2. Pf-06372865

    2.3.2 Depositor-Supplied Synonyms

    1. Pf-06372865

    2. 1614245-70-3

    3. Darigabat [inn]

    4. Darigabat [usan]

    5. Cvl-865

    6. O9bp19hz3q

    7. 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl)-7h-imidazo[4,5-c]pyridazine

    8. 7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

    9. 7h-imidazo(4,5-c)pyridazine, 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxy(1,1'-biphenyl)-3-yl)-

    10. 7-ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl]-7h-imidazo[4,5-c]pyridazine

    11. Unii-o9bp19hz3q

    12. Gtpl9798

    13. Chembl3647536

    14. Schembl15794150

    15. Bdbm144227

    16. Tq0078

    17. Who 11498

    18. Example 4 [wo2014091368]

    19. Bp166580

    20. Hy-120874

    21. Cs-0079452

    22. Pf06372865

    23. Pf 06372865

    24. Us8952008, 4

    25. 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxy-[1,1'-biphenyl]-3-yl)-7h-imidazo[4,5-c]pyridazine

    26. 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl)-7h-imidazo(4,5-c)-pyridazine

    27. 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'methoxybiphenyl-3-yl)-7h-imidazo[4,5-c]pyridazine

    2.4 Create Date
    2014-07-28
    3 Chemical and Physical Properties
    Molecular Weight 440.5 g/mol
    Molecular Formula C22H21FN4O3S
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass440.13183988 g/mol
    Monoisotopic Mass440.13183988 g/mol
    Topological Polar Surface Area95.4 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity705
    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

    GABA Modulators

    Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here. (See all compounds classified as GABA Modulators.)