S100P-IN-1 (Compound 4) is an S100P inhibitor (antagonist) with IC50 of 22.7 nM. S100P-IN-1 has anti-metastatic effects on pancreatic cancer/tumor cells.
S100P-IN-1 (Compound 4) is a potent and selective inhibitor of the S100P protein, which is involved in cancer metastasis, particularly in pancreatic cancer. It binds to S100P and blocks its interaction with RAGE, inhibiting cancer cell invasion with an IC50 of 22.7 nM. It shows no significant cytotoxicity at effective concentrations. Target: S100P (S100 calcium-binding protein P). S100P-IN-1 binds directly to the S100P protein dimer, blocking its interaction with the receptor for advanced glycation end products (RAGE). This interrupts downstream signaling pathways that promote cell invasion, migration, and metastasis. In vitro, S100P-IN-1 inhibits S100P binding to RAGE in a dose-dependent manner. At 10 uM, it significantly blocks S100P-specific cell invasion in pancreatic cancer cell lines without evident cytotoxicity, preserving cell viability while reducing metastatic potential. No in vivo efficacy data have been published specifically for S100P-IN-1 in animals. However, as a tool compound targeting S100P, it is expected to reduce metastasis and tumor progression in animal models based on S100P biology. For cell-free binding assays: recombinant S100P protein is immobilized, incubated with varying concentrations of S100P-IN-1 (0-100 uM), then RAGE-Fc fusion protein is added. After washing, bound RAGE is detected with anti-Fc antibody conjugated to HRP. Absorbance is measured to calculate inhibition of the S100P-RAGE interaction (IC50 = 22.7 nM). For cell assays: pancreatic cancer cells (e.g., Panc-1, MiaPaCa-2) are treated with 10 uM S100P-IN-1 for 24 h in serum-free medium. Cell invasion is assessed using Matrigel-coated Transwell chambers. Non-invading cells on the upper membrane are removed, and invading cells on the lower side are fixed, stained with crystal violet, and counted microscopically. No in vivo animal studies have been specifically reported for S100P-IN-1 in peer-reviewed literature. Based on its mechanism, potential future studies would involve tail-vein metastasis models in nude mice or orthotopic pancreatic cancer models. No PK data are available for S100P-IN-1. As a research chemical with molecular weight 440.4 and solubility in DMSO (80 mg/mL), it is likely to have moderate bioavailability if administered intraperitoneally or intravenously, but no formal PK parameters have been reported. No toxicity data have been published for S100P-IN-1. However, in vitro assays confirmed no evident cytotoxicity at the effective concentration of 10 uM in pancreatic cancer cell lines. Long-term toxicity has not been evaluated. S100P-IN-1 is a research compound. It is not FDA-approved and has not entered clinical trials. It serves as a valuable chemical probe for studying the role of S100P in cancer metastasis and as a lead compound for developing anti-metastatic therapies against S100P-expressing tumors, particularly pancreatic cancer.

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