The present invention discloses an anti-tumor compound and its preparation method,application, and pharmaceutical compositions. The anti-tumor compound is a 4 - nitro-substituted benzyl group ifosfamide ester prodrug thereof, or pharmaceuticallysalt, or solvate thereof of the structure of formula I. The structure of formula I. The present invention has the following advantage of being used for the treatment or prevention of mammalian tumor-related diseases, such as leukemia, hemangioma, glioma, Kaposi's sarcoma, ovarian cancer, breast cancer, lung cancer, pancreatic cancer, lymphoma, prostate, colon and skin tumors and their complications.