| Identification | Back Directory | [Name]
Benzoic acid, 3-(1,3,3a,4,9,9a-hexahydro-4-nitro-1,3-dioxo-4,9[1',2']-benzeno-2H-benz[f]isoindol-2-yl)- | [CAS]
690991-06-1 | [Synonyms]
S100P-IN-1
Benzoic acid, 3-(1,3,3a,4,9,9a-hexahydro-4-nitro-1,3-dioxo-4,9[1',2']-benzeno-2H-benz[f]isoindol-2-yl)- | [Molecular Formula]
C25H16N2O6 | [MOL File]
690991-06-1.mol | [Molecular Weight]
440.41 |
| Chemical Properties | Back Directory | [Boiling point ]
781.3±60.0 °C(Predicted) | [density ]
1.60±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
4.07±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
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]. | [References]
[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. DOI:10.1016/j.ejmech.2020.112621 |
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