COMPUTED DESCRIPTORS
| Molecular Weight | 431.8 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 431.0648388 g/mol |
| Monoisotopic Mass | 431.0648388 g/mol |
| Topological Polar Surface Area | 74.2 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 631 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
SHP-1 Agonist SC-43 is an orally available, small molecule agonist of Src homology region 2 domain-containing phosphatase-1 (SHP-1; tyrosine-protein phosphatase non-receptor type 6; PTPN6) with potential antineoplastic activity. Upon administration, SHP-1 agonist SC-43 enhances SHP-1 activity by impairing the association between the N-terminal Src homology 2 (N-SH2) domain and the protein tyrosine phosphatase (PTP) domain of SHP-1, triggering a conformational change of SHP-1 and relieving its autoinhibition. Activation of SHP-1 represses signal transducer and activator of transcription 3 (STAT3) signaling by inhibiting constitutive and interleukin-6 (IL-6)-induced STAT3 phosphorylation. The STAT3 pathway is overly active in many cancer types and is implicated in cancer stem cell-mediated growth, recurrence, stemness, and resistance to conventional chemotherapies.