loader
Please Wait
Applying Filters...

Renejix CDMO Partner for Small Molecule Oral Dosage Forms Renejix CDMO Partner for Small Molecule Oral Dosage Forms

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Tunlametinib, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Tunlametinib

    DEVELOPMENTS

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: Tunlametinib [inn], If25nr1pv3, 1801756-06-8, Unii-if25nr1pv3, Hl085, Hl-085
    Molecular Formula
    C16H12F2IN3O3S
    Molecular Weight
    491.3  g/mol
    InChI Key
    UFZJUVFSSINETF-UHFFFAOYSA-N
    FDA UNII
    IF25NR1PV3
    Tunlametinib is an orally bioavailable inhibitor of mitogen-activated protein kinase kinase (MAP2K, MAPK/ERK kinase, or MEK), with potential antineoplastic activity. Upon administration, tunlametinib selectively binds to and inhibits the activity of MEK, preventing the activation of MEK-dependent effector proteins and transcription factors, which may result in the inhibition of growth factor-mediated cell signaling and tumor cell proliferation. MEK, a threonine/tyrosine kinase, plays a key role in the activation of the RAS/RAF/MEK/ERK pathway that regulates cell growth. This pathway is often dysregulated in a variety of tumor cell types through BRAF, KRAS and NRAS mutations.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,3-benzothiazole-6-carboxamide
    2.1.2 InChI
    InChI=1S/C16H12F2IN3O3S/c17-10-5-8(19)1-2-11(10)21-14-9(16(24)22-25-4-3-23)6-12-15(13(14)18)20-7-26-12/h1-2,5-7,21,23H,3-4H2,(H,22,24)
    2.1.3 InChI Key
    UFZJUVFSSINETF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1I)F)NC2=C(C3=C(C=C2C(=O)NOCCO)SC=N3)F
    2.2 Other Identifiers
    2.2.1 UNII
    IF25NR1PV3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Tunlametinib [inn]

    2. If25nr1pv3

    3. 1801756-06-8

    4. Unii-if25nr1pv3

    5. Hl085

    6. Hl-085

    7. 4-fluoro-5-((2-fluoro-4-iodophenyl)amino)-n-(2-hydroxyethoxy)-6-benzothiazolecarboxamide

    8. 6-benzothiazolecarboxamide, 4-fluoro-5-((2-fluoro-4-iodophenyl)amino)-n-(2-hydroxyethoxy)-

    9. 4-fluoro-5-(2-fluoro-4-iodoanilino)-n-(2-hydroxyethoxy)-1,3-benzothiazole-6-carboxamide

    10. Chembl5095241

    11. Hl 085 [who-dd]

    12. Schembl15129499

    13. Gtpl11675

    14. Hl 085

    15. Ufzjuvfssinetf-uhfffaoysa-n

    16. Akos040757035

    17. Example 9 [wo2013107283a1]

    18. Hy-132844

    19. Cs-0204149

    20. 4-fluoro-5-((2-fluoro-4-iodophenyl)amino)-n-(2-hydroxyethoxy)benzo[d]thiazole-6-carboxamide

    2.4 Create Date
    2013-08-05
    3 Chemical and Physical Properties
    Molecular Weight 491.3 g/mol
    Molecular Formula C16H12F2IN3O3S
    XLogP34
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area112
    Heavy Atom Count26
    Formal Charge0
    Complexity496
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY