loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about NT219, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    NT219

    DEVELOPMENTS

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Nt219, Nt-219, 2-propenethioamide, 3-(2-bromo-3,4-dihydroxyphenyl)-n-((3,4,5-trihydroxyphenyl)methyl)-, 2-propenethioamide, 3-(2-bromo-3,4-dihydroxyphenyl)-n-((3,4,5-trihydroxyphenyl)methyl)-, (2e)-, Unii-k1wt1a1up5, Chembl3679680
    Molecular Formula
    C16H14BrNO5S
    Molecular Weight
    412.3  g/mol
    InChI Key
    XDDQKKXXQHUUHJ-DUXPYHPUSA-N
    FDA UNII
    K1WT1A1UP5
    IRS1/IRS2/STAT3 Inhibitor NT219 is an inhibitor of signal transducer and activator of transcription 3 (STAT3) and insulin receptor substrate 1 (IRS1) and 2 (IRS2), with potential antineoplastic activity. Upon administration, the IRS1/IRS2/STAT3 inhibitor NT219 specifically targets and binds to IRS1/2 and STAT3. Inhibiting IRS1/2 prevents IRS1/2-mediated signaling pathways and other tumor survival pathways. Inhibiting STAT3 prevents nuclear translocation of STAT3 and the STAT3-mediated regulation of oncogenes expression. This causes tumor cell apoptosis and inhibits tumor cell proliferation. IRS1/2 and STAT3, oncogenic drivers that are upregulated in a variety of human cancers, play key roles in uncontrolled tumor cell proliferation and tumor resistance.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-3-(2-bromo-3,4-dihydroxyphenyl)-N-[(3,4,5-trihydroxyphenyl)methyl]prop-2-enethioamide
    2.1.2 InChI
    InChI=1S/C16H14BrNO5S/c17-14-9(1-3-10(19)16(14)23)2-4-13(24)18-7-8-5-11(20)15(22)12(21)6-8/h1-6,19-23H,7H2,(H,18,24)/b4-2+
    2.1.3 InChI Key
    XDDQKKXXQHUUHJ-DUXPYHPUSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1C=CC(=S)NCC2=CC(=C(C(=C2)O)O)O)Br)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C(=C1/C=C/C(=S)NCC2=CC(=C(C(=C2)O)O)O)Br)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    K1WT1A1UP5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Nt219

    2. Nt-219

    3. 2-propenethioamide, 3-(2-bromo-3,4-dihydroxyphenyl)-n-((3,4,5-trihydroxyphenyl)methyl)-

    4. 2-propenethioamide, 3-(2-bromo-3,4-dihydroxyphenyl)-n-((3,4,5-trihydroxyphenyl)methyl)-, (2e)-

    5. Unii-k1wt1a1up5

    6. Chembl3679680

    7. Schembl12659248

    8. Bdbm101913

    9. Hy-145935

    10. Cs-0436350

    11. Us8536227, 5

    12. 1198078-60-2

    13. 1395878-40-6

    2.4 Create Date
    2019-01-19
    3 Chemical and Physical Properties
    Molecular Weight 412.3 g/mol
    Molecular Formula C16H14BrNO5S
    XLogP32.6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass410.97761 g/mol
    Monoisotopic Mass410.97761 g/mol
    Topological Polar Surface Area145 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity454
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY