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    Trigriluzole

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Trigriluzole, Bhv-4157a, Troriluzole [usan], 1926203-09-9, Bhv-4157, S7h48s6k7h
    Molecular Formula
    C15H16F3N5O4S
    Molecular Weight
    419.4  g/mol
    InChI Key
    YBZSGIWIPOUSHY-UHFFFAOYSA-N
    FDA UNII
    S7H48S6K7H
    Troriluzole is a formulation comprised of a prodrug form of the benzothiazole derivative riluzole, with potential anti-depressant, anxiolytic and antineoplastic activities. Following oral administration, troriluzole is converted into the active form riluzole. While the mechanism of action of riluzole is unknown, its pharmacological activities, some of which may be related to its effect, include the following: 1) an inhibitory effect on glutamate release, 2) inactivation of voltage-dependent sodium channels, and 3) interference with intracellular events that follow transmitter binding at excitatory amino acid receptors. These activities may result in myorelaxation and sedation due to the blockade of glutamatergic neurotransmission. Additionally, these activities may result in the inhibition of enzymes that are necessary for cell growth, which may decrease tumor cell growth and metastasis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]acetamide
    2.1.2 InChI
    InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)
    2.1.3 InChI Key
    YBZSGIWIPOUSHY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC(F)(F)F)C(=O)CNC(=O)CN
    2.2 Other Identifiers
    2.2.1 UNII
    S7H48S6K7H
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Trigriluzole

    2. Bhv-4157a

    3. Troriluzole [usan]

    4. 1926203-09-9

    5. Bhv-4157

    6. S7h48s6k7h

    7. Troriluzole (usan)

    8. Glycinamide, Glycylglycyl-n2-methyl-n-(6-(trifluoromethoxy)-2-benzothiazolyl)-

    9. Troriluzol

    10. Troriluzole [inn]

    11. Unii-s7h48s6k7h

    12. Bhv4157a

    13. Troriluzole [who-dd]

    14. Chembl4297586

    15. Schembl18154275

    16. Gtpl11375

    17. Bhv4157

    18. Db15079

    19. Fc-4157

    20. Sb19816

    21. Hy-122487

    22. Cs-0085735

    23. D11414

    24. Q56407722

    25. Glycylglycyl-n2-methyl-n-(6-(trifluoromethoxy)-1,3-benzothiazol-2-yl)glycinamide

    26. 2-(2-aminoacetamido)-n-methyl-n-(2-oxo-2-((6-(trifluoromethoxy)benzo[d]thiazol-2-yl)amino)ethyl)acetamide

    2.4 Create Date
    2016-08-16
    3 Chemical and Physical Properties
    Molecular Weight 419.4 g/mol
    Molecular Formula C15H16F3N5O4S
    XLogP31
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass419.08750967 g/mol
    Monoisotopic Mass419.08750967 g/mol
    Topological Polar Surface Area155 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity595
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1