isopomiferin | 5738-24-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: isopomiferin
• 英文别名: 5-(3,4-dihydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13,17-pentaen-6-one
• CAS: 5738-24-9
• 化学式: C₂₅H₂₄O₆
• 分子量: 420.462
• InChiKey: FYVQSXRFGAIFQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  isopomiferin 、 甲基磺酰氯 在 吡啶 作用下， 以71%的产率得到4-(2,2,10,10-tetramethyl-8-oxo-8,10,11,12-tetrahydro-2H-dipyrano[2,3-f:2',3'-h]chromen-7-yl)-1,2-phenylene dimethanesulfonate
  参考文献：
  名称：

  半合成异黄酮作为抗阿尔茨海默氏病的BACE-1抑制剂。

  摘要：

  BACE-1被认为是预防和治疗阿尔茨海默氏病（AD）的靶标之一。我们在这里报告了一类新的半合成的异戊烯基异黄酮衍生物，得自Maclura pomifera的天然类黄酮衍生化。通过人重组BACE-1抑制试验评估了合成化合物的体外抗AD作用。化合物7，8和13被认为是最活跃的候选这表明了计算对接和药代动力学预测之间良好的相关性。此外，细胞毒性研究表明，该化合物对正常和癌细胞系无毒性。在这三种化合物中，化合物7增强A549癌细胞上P-糖蛋白（P-gp）的活性，并增加P-gp ATPase的活性，可能对跨血脑屏障的淀粉样β流出具有作用。总之，本发现可能为发现新型预防和/或治疗AD的化合物铺平道路。

  DOI：

  10.1016/j.bioorg.2019.03.034
• 作为产物：
  描述：

  橙桑黄酮 在 溶剂黄146 作用下， 以65%的产率得到isopomiferin
  参考文献：
  名称：

  半合成异黄酮作为抗阿尔茨海默氏病的BACE-1抑制剂。

  摘要：

  BACE-1被认为是预防和治疗阿尔茨海默氏病（AD）的靶标之一。我们在这里报告了一类新的半合成的异戊烯基异黄酮衍生物，得自Maclura pomifera的天然类黄酮衍生化。通过人重组BACE-1抑制试验评估了合成化合物的体外抗AD作用。化合物7，8和13被认为是最活跃的候选这表明了计算对接和药代动力学预测之间良好的相关性。此外，细胞毒性研究表明，该化合物对正常和癌细胞系无毒性。在这三种化合物中，化合物7增强A549癌细胞上P-糖蛋白（P-gp）的活性，并增加P-gp ATPase的活性，可能对跨血脑屏障的淀粉样β流出具有作用。总之，本发现可能为发现新型预防和/或治疗AD的化合物铺平道路。

  DOI：

  10.1016/j.bioorg.2019.03.034

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS THAT CAUSE MYCN AND/OR CMYC DEGRADATION AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS ET COMPOSITIONS QUI PROVOQUENT LA DÉGRADATION DE MYCN ET/OU DE CMYC ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV COLUMBIA

  公开号：WO2020123699A1

  公开（公告）日：2020-06-18

  The present disclosure provides, inter alia, scaffolds and compounds having the structure (I). Also provided are compositions containing a pharmaceutically acceptable carrier and one or more compounds according to the present disclosure. Further provided are methods for treating or ameliorating the effects of a cancer in a subject, methods for selectively killing a cancer cell, methods of modulating mTORC1/2 signaling activity in a cell, methods of modulating the activity of a Master Regulator for MycN in a subject having MycN-amplified neuroblastoma (MycNAMP NBL), methods of selectively treating or ameliorating effects of a cancer in a subject in need thereof, and platforms and methods for identifying a compound that induces degradation of a cancer-related protein. Also provided are kits comprising a compound or a pharmaceutical composition according to the present disclosure. Methods for treating cancers and methods for modulating MYC Master Regulators using other compounds are also provided.

  本公开提供了具有结构（I）的支架和化合物，以及含有药学上可接受的载体和一种或多种根据本公开的化合物的组合物。此外，还提供了治疗或改善受试者癌症影响的方法，选择性杀死癌细胞的方法，调节细胞中mTORC1 / 2信号活性的方法，调节MycN主调节因子在具有MycN放大的神经母细胞瘤（MycNAMP NBL）受试者中的活性的方法，选择性治疗或改善受试者癌症影响的方法，以及鉴定诱导癌相关蛋白降解的化合物的平台和方法。还提供了包含根据本公开的化合物或药物组合物的试剂盒。还提供了使用其他化合物治疗癌症和调节MYC主调节因子的方法。
• COMPOUND AND METHOD FOR THE TREATMENT OF CORONAVIRUSES
  申请人：Apteeus

  公开号：EP3922312A1

  公开（公告）日：2021-12-15

  The invention relates to the use of clofoctol in the prevention or treatment of a disease caused by a coronavirus, in particular Covid-19.

  本发明涉及使用氯佛妥来预防或治疗由冠状病毒，特别是 Covid-19 引起的疾病。
• Osage Orange Pigments. II. Isolation of a New Pigment, Pomiferin
  作者：M. L. Wolfrom、F. L. Benton、A. S. Gregory、W. W. Hess、J. E. Mahan、P. W. Morgan

  DOI：10.1021/ja01265a079

  日期：1939.10.1
• Compositions and Methods Comprising Zingiber Species
  申请人：Li Dan

  公开号：US20080160116A1

  公开（公告）日：2008-07-03

  An aspect of the present invention relates to compositions comprising a gingerol, for example, compositions comprising gingerol in an amount greater than about 2% by weight. In some aspects of the invention, the composition comprises 6-gingerol, 8-gingerol, 10-gingerol, 6-shagaol, or combinations thereof. Another aspect of the invention relates to a method for extracting a ginger species comprising, sequentially extracting a ginger species plant material to yield an essential oil fraction, a gingerol fraction, a phenolic fraction, and a polysaccharide fraction, wherein the essential oil and gingerol fractions are derived by extracting plant feedstock material by supercritical carbon dioxide extraction, the phenolic fraction is extracted from the plant feedstock material or from the remainder of the essential oil and gingerol extractions by hydroalcoholic extraction, and the polysaccharide fraction is derived by water extraction of the remainder of the phenolic extraction.
• PRENYLATED ISOFLAVONES FOR TREATMENT OF SUBJECTS WITH MULTIDRUG-RESISTANT CANCER
  申请人：Macau University of Science and Technology

  公开号：US20170151212A1

  公开（公告）日：2017-06-01

  Prenylated isoflavones are suitable to specifically inhibit P-glycoprotein in multidrug-resistant cancer cells leading to an accumulation of cytotoxic compounds or therapeutic compounds in the cells while having exceptionally increased cytotoxic activity specifically towards multidrug-resistant cancer cells and while allowing for an increased activity of chemotherapeutic compounds towards which the cells are resistant. Also in accordance with the present invention is a method for specifically targeting cancer cells with multidrug-resistance as well as a method of potentiating the activity of a chemotherapeutic compound in multidrug-resistant cancer cells. In a further aspect, a kit including a prenylated isoflavone and a chemotherapeutic compound is provided.