NT219

Chemical Information
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.
| CAS Number | 1198078-60-2 |
| PubChem CID | 135914977 |
| IUPAC Name | (E)-3-(2-bromo-3,4-dihydroxyphenyl)-N-[(3,4,5-trihydroxyphenyl)methyl]prop-2-enethioamide |
| Molecular Formula | C16H14BrNO5S |
| Molecular Weight | 412.3 |
| XLogP | 2.6 |
| Topological Polar Surface Area | 145 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 454 |
| Property | Value |
|---|---|
| Molecular Weight | 412.3 |
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 410.97761 |
| Monoisotopic Mass | 410.97761 |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 454 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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