3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromene-4-carbaldehyde | 25982-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromene-4-carbaldehyde
• 英文别名: 3-Hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromene-4-carbaldehyde
• CAS: 25982-33-6
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: FOFWBKMZGAWDOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US20160083361A1

  公开（公告）日：2016-03-24

  Disclosed are XBP-1/IRE-1 inhibitors having formula disclosed herein. Methods of making and using these inhibitors for the treatment of cancer, in particular B cell cancers, are also disclosed. Also disclosed is a genetic XBP-1-knockout cancer mouse model. In still further aspects, the disclosed subject matter relates to methods for treating oncological and inflammatory disorders in a patient. For example, disclosed herein are methods whereby an effective amount of a compound or composition disclosed herein is administered to a patient having an oncological disorder, for example B-cell chronic lymphocytic leukemia (CLL), and who is in need of treatment thereof. XBP-1 deficiency causes leukemic cells to acquire phenotypes that are disadvantageous for their survival, such as compromised BCR signaling capability and increased surface expression of S1 P1.

  本文披露了具有公式所述的XBP-1/IRE-1抑制剂。还披露了制备和使用这些抑制剂治疗癌症，特别是B细胞癌症的方法。此外，还披露了一种遗传XBP-1敲除癌症小鼠模型。在更进一步的方面，所披露的主题涉及用于治疗患者的肿瘤和炎症性疾病的方法。例如，本文披露了将公式所述的化合物或组合物的有效量给予患有肿瘤疾病（例如B细胞慢性淋巴细胞白血病（CLL））并需要治疗的患者的方法。XBP-1缺乏会导致白血病细胞获得对其生存不利的表型，例如受损的BCR信号传导能力和增加的S1 P1表面表达。