6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
• 英文别名: 6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
• 化学式: C16H17N3O6
• 分子量: 347.32
• InChiKey: NUQLAGJKWWXUPU-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• SYNTHETIC ANTIBODY MIMETIC COMPOUNDS (SYAMS) TARGETING CANCER, ESPECIALLY PROSTATE CANCER
  申请人：YALE UNIVERSITY

  公开号：US20160082112A1

  公开（公告）日：2016-03-24

  The present invention relates to compounds which function as antibody mimetic compounds. These compounds are bifunctional/multifunctional compounds which contain at least one cancer cell binding moiety which selectively binds to prostate specific membrane antigen (PSMA) and a FC receptor binding moiety which modulates an FC immune receptor, preferably a FcγRI receptor. Compounds according to the present invention bind selectively to cancer cells which upregulate PSMA and through that interaction, place the Fc receptor binding moiety of the compound in proximity to a Fc receptor, preferably a FcγRI receptor, which can modulate (preferably, upregulate) a humoral response in a patient to cancer cells. Through this biological action of the compounds according to the present invention, cancer cells, including metastatic cancer cells, especially prostate cancer cells can be immune regulated, resulting in the favorable therapy of cancer in a patient. Methods of using these compounds to treat cancer and/or reduce the likelihood of metastatis of cancer are additional aspects of the present invention.

  本发明涉及作为抗体模拟化合物的化合物。这些化合物是双功能/多功能化合物，包含至少一个癌细胞结合基团，该基团选择性地结合到前列腺特异性膜抗原（PSMA），以及一个FC受体结合基团，该基团调节FC免疫受体，优选为FcγRI受体。根据本发明的化合物选择性地结合到上调PSMA的癌细胞，并通过这种相互作用，使化合物的Fc受体结合基团靠近FC受体，优选为FcγRI受体，从而可以调节（优选为上调）患者对癌细胞的体液反应。通过本发明化合物的这种生物作用，包括转移性癌细胞，特别是前列腺癌细胞，可以被免疫调节，从而有利于患者的癌症治疗。使用这些化合物治疗癌症和/或减少癌症转移可能性的方法是本发明的其他方面。