S100P-IN-1

• CAT Number: I043830
• CAS Number: 690991-06-1
• Molecular Formula: C25H16N2O6
• Molecular Weight: 440.40
• Purity: ≥95%
• Synonyms: 3-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
• InChI: InChI=1S/C25H16N2O6/c28-22-20-19-15-8-1-3-10-17(15)25(27(32)33,18-11-4-2-9-16(18)19)21(20)23(29)26(22)14-7-5-6-13(12-14)24(30)31/h1-12,19-21H,(H,30,31)
• InChIKey: MJGGCGYBUPPFMU-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O

S100P-IN-1 (Compound 4) is a S100P inhibitor with an IC50 of 22.7 nM. S100P-IN-1 shows anti-metastatic effects on pancreatic cancer cells[1].
S100P-IN-1 (Compound 4) blocks S100P binding to RAGE in a dose dependent manner[1].
S100P-IN-1 (10 µM, 24 h) shows S100P-specific inhibitory effect on cell invasion, without obvious cytotoxicity[1].

Reference

[1]. Ramatoulie Camara, et al. Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells. Eur J Med Chem. 2020 Oct 1;203:112621.
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