In this study, we develop nano-synthesis technology with biomedical applications, utilizing Epigallocatechin Gallate (EGCG) as a carrier and selectively adjusting the content of transition metal ions (such as Cu²⁺/Cu³⁺, Fe²⁺/Fe³⁺, etc.). Metal–polyphenol coordination-based nanoparticles, abbreviated as EFeCu, are synthesized. Furthermore, the anticancer drug Tirapazamine (TPZ) is loaded onto these nanoparticles through π-π interaction with the polyphenolic structure of EGCG, successfully creating multifunctional metal–polyphenol coordination nanoparticles, refer to as EFeCuTPZ. Material characterization of EFeCuTPZ was conducted using DLS, UV-vis, FTIR, and SEM to analyze its structure, composition, and properties. In the evaluation of Photothermal Therapy (PTT), the photothermal conversion efficiency was analyzed using 808 nm and 671 nm lasers. The results showed that the nanoparticles could heat up quickly and stably under irradiation. Additionally, in the tumor microenvironment (TME), EFeCuTPZ can utilize the high concentration of H₂O₂ to undergo the Fenton Reaction, generating toxic reactive oxygen species (ROS) free radicals and thus demonstrates the potential for Chemo-dynamic Therapy (CDT). Meanwhile, the Copper ions in the material can convert Glutathione (GSH) into oxidized glutathione (GSSG) under the TME conditions, which reduce the consumption of reactive oxygen species (ROS) and further enhance the CDT efficacy. TPZ, an anaerobic reductive drug, is activated and reduced into toxic free radicals under the TME conditions, thereby exhibiting good therapeutic properties. The cell experiments were confirmed using in vitro cellular investigation, in which the nanocomposite possessed excellent biocompatibility and therapeutic efficacy towards cancer cells. In conclusion, this study successfully developed a nanocomposite designed for multiple synergetic therapy, achieving CDT, CT, and PTT applications. EFeCuTPZ offers new possibilities for emerging medicinal drug material and can be a promising candidate in the future nanomedicine.