The present invention discloses use of metallofullerene monocrystalline nanoparticles for the preparation of tumor vascular disrupting agents. The monocrystalline nanoparticles are water-soluble metallofullerene nanoparticles with negative charges on their surfaces, the particle sizes thereof range from 50 to 250 nanometers moreover, the nanomaterials are able to absorb outside radiation energy, and transform it into heat energy, the volumes thereof will rapidly expand when temperature reached phase transformation point. When treatment, metallofullerene monocrystalline nanoparticles are administrated to a tumor-bearing organism via injection the metallofullerene monocrystalline nanoparticles reach tumor sites via blood circulation, and retain at the sites of pores and defects of tumors the monocrystalline nanoparticles of metallofullerene accumulate heat and the temperature increases under the role of outside radiation energy, the volumes sharply expand when the temperature exceeds critical point of phase transition thereof, thereby to cause changes in the morphologies, structures or functions of endothelium cells of tumor vessels, further to starve the tumor cells.
