10-methyl-7-(trifluoromethyl)benzo[g]pteridine-2,4(3H,10H)-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 10-methyl-7-(trifluoromethyl)benzo[g]pteridine-2,4(3H,10H)-dione
• 英文别名: 10-methyl-7-(trifluoromethyl)benzo[g]pteridine-2,4-dione
• 化学式: C₁₂H₇F₃N₄O₂
• mdl: MFCD07800905
• 分子量: 296.2
• InChiKey: KCDITQBGZLRTBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT
  申请人：NATIONAL CANCER CENTER

  公开号：US20220033405A1

  公开（公告）日：2022-02-03

  The present invention relates to a pharmaceutical composition for preventing, treating or alleviating cancer, containing a PLK1 inhibitor as an active ingredient, and a compound according to the present invention selectively binds to PBD of PLK1, thereby having advantages of high selectivity and binding affinity for PLK1 and low toxicity. Therefore, a PLK inhibitor compound according to the present invention can be effectively used as an anticancer agent by inhibiting the growth of various cancer cells, and can be expected to exhibit synergistic effects with existing developed anticancer agents through co-administration, in addition to individual administration thereof.

  本发明涉及一种用于预防、治疗或缓解癌症的药物组合物，包含PLK1抑制剂作为活性成分。本发明的化合物选择性地结合到PLK1的PBD上，因此具有高选择性和结合亲和力，且毒性较低的优点。因此，根据本发明的PLK抑制剂化合物可以通过抑制各种癌细胞的生长有效地用作抗癌剂，并且可以通过联合使用与现有开发的抗癌剂表现出协同效应，除了单独使用之外。