3-Chlorbenzoesaeure-5-nitrosalicyliden-hydrazon | 41377-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-Chlorbenzoesaeure-5-nitrosalicyliden-hydrazon
• 英文别名: 3-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
• CAS: 41377-62-2
• 化学式: C₁₄H₁₀ClN₃O₄
• 分子量: 319.704
• InChiKey: GJXNJRKSXLRGMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof
  申请人：Peking University

  公开号：US10722489B2

  公开（公告）日：2020-07-28

  This application discloses a D-3-phosphoglycerate dehydrogenase allosteric inhibitor and the use thereof. In one class is the benzoyl hydrazine compound for the allosteric site MDL-1 of the enzyme, and the other class is the furan compound for the allosteric site MDL-2 of the enzyme. In vitro enzymatic activity tests, cell viability tests and mouse xenograft model experiments confirm that the two classes of allosteric inhibitors can specifically inhibit the activity of D-3-phosphoglycerate dehydrogenase and delay the growth of cancer cells by reducing the overexpression of the enzyme in cancer cells. Same are used alone or in combination, or in combination with other anti-cancer drugs and can treat, prevent, or inhibit tumor diseases, including breast cancer, colon cancer, melanoma and non-small cell lung cancer.

  本申请公开了一种 D-3-磷酸甘油酸脱氢酶异构抑制剂及其用途。一类是用于酶的异构位点 MDL-1 的苯甲酰肼化合物，另一类是用于酶的异构位点 MDL-2 的呋喃化合物。体外酶活性测试、细胞活力测试和小鼠异种移植模型实验证实，这两类异位抑制剂可以特异性地抑制 D-3-磷酸甘油酸脱氢酶的活性，并通过降低癌细胞中该酶的过表达来延缓癌细胞的生长。它们可单独使用、联合使用或与其他抗癌药物联合使用，可治疗、预防或抑制肿瘤疾病，包括乳腺癌、结肠癌、黑色素瘤和非小细胞肺癌。
• D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF
  申请人：Peking University

  公开号：US20190262303A1

  公开（公告）日：2019-08-29

  This application discloses a D-3-phosphoglycerate dehydrogenase allosteric inhibitor and the use thereof. In one class is the benzoyl hydrazine compound for the allosteric site MDL-1 of the enzyme, and the other class is the furan compound for the allosteric site MDL-2 of the enzyme. In vitro enzymatic activity tests, cell viability tests and mouse xenograft model experiments confirm that the two classes of allosteric inhibitors can specifically inhibit the activity of D-3-phosphoglycerate dehydrogenase and delay the growth of cancer cells by reducing the overexpression of the enzyme in cancer cells. Same are used alone or in combination, or in combination with other anti-cancer drugs and can treat, prevent, or inhibit tumor diseases, including breast cancer, colon cancer, melanoma and non-small cell lung cancer.