PKM2-IN-1; (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl piperidine-1-carbodithioate; CAS No.: 94164-88-2; PKM2-IN-1. PROPERTIES: PKM2-IN-1 is a crystalline solid with the molecular formula C22H20F3N5O3. It exhibits moderate solubility in dimethyl sulfoxide and dimethylformamide but limited water solubility. The compound is stable at room temperature but recommended storage involves protection from light and moisture in a sealed container. Safety precautions include avoiding inhalation of dust, using protective eyewear, and handling in a chemical fume hood. With a molecular weight of approximately 465.40 g/mol, it demonstrates moderate metabolic stability and favorable pharmacokinetic properties. The compound has multiple fluorine atoms and hydrogen bond donors/acceptors that enhance target binding. Its logP value around 2.6 indicates a balance between hydrophilic and lipophilic characteristics. APPLICATIONS: PKM2-IN-1 functions as a selective inhibitor of the pyruvate kinase M2 (PKM2) enzyme, investigated for the treatment of various cancers including solid tumors and leukemia. In preclinical research, it is used to study PKM2's role in cancer metabolism and to develop novel therapeutic approaches targeting cancer cell energy production. The compound is employed in combination studies with other metabolic inhibitors to enhance antitumor efficacy. Additionally, it serves as a research tool in cancer biology to investigate PKM2-mediated metabolic reprogramming and in drug discovery to explore novel approaches to targeting cancer metabolism. According to "Targeting Cancer Metabolism: A Therapeutic Perspective," PKM2-IN-1 provides a promising strategy for disrupting tumor-specific metabolic pathways.