STAT3 inhibitor 8q   Click here for help

GtoPdb Ligand ID: 10139

Compound class: Synthetic organic
Comment: Compound 8q is reported as an orally active inhibitor of the transcription factor STAT3 [4]. Structurally 8q is a derivative of napabucasin (BBI608), a cancer cell stemness inhibitor that targets the STAT3 pathway [1], and which was evaluated for antineoplastic potential in clinical trial [2]. STAT3 is a crucial component of the JAK/STAT signalling pathway, that is implicated in cancer and inflammation. STAT3 is frequently activated in cancers, where it downmodulates intrinsic immune surveillance of tumour cells. Phosphorylated (activated) STAT3 (pSTAT3) is a marker of poor cancer prognosis [5-6]. Inhibition of the STA3 pathway induces T cell- and NK cell-dependent growth inhibition of tumours and by this mechanism, enhances antitumour immunity [3]. Selective STAT3 inhibitors are being investigated as anti-cancer immunotherapeutics and as more general immunomodulators for non-cancer inflammatory disorders.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.62
Molecular weight 352.14
XLogP 2.17
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)NCCN1CCCCC1
Isomeric SMILES O=C(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)NCCN1CCCCC1
InChI InChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25)
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Compound class Synthetic organic
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GtoPdb PubChem SID 381118849
PubChem CID 137321152
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