4-(5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl)-1,2-phenylene diacetate | 5436-25-9

• 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: 4-(5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl)-1,2-phenylene diacetate
• 英文别名: Pomiferin, triacetate；[2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]phenyl] acetate
• CAS: 5436-25-9
• 化学式: C₃₁H₃₀O₉
• 分子量: 546.574
• InChiKey: PEPZRPSXMUHEEA-UHFFFAOYSA-N

物化性质

• 熔点：
  154 °C
• 沸点：
  698.9±55.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  橙桑黄酮 、 乙酸酐 在 sodium acetate 作用下， 反应 3.0h， 以96 mg的产率得到4-(5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl)-1,2-phenylene diacetate
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS THAT CAUSE MYCN AND/OR CMYC DEGRADATION AND METHODS OF USE THEREOF
  [FR] COMPOSÉS ET COMPOSITIONS QUI PROVOQUENT LA DÉGRADATION DE MYCN ET/OU DE CMYC ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  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。

  公开号：

  WO2020123699A1

文献信息

• 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
• Subtype-selective prenylated isoflavonoids disrupt regulatory drivers of MYCN-amplified cancers
  作者：Michael E. Stokes、Alessandro Vasciaveo、Jonnell Candice Small、Arie Zask、Eduard Reznik、Nailah Smith、Qian Wang、Jacob Daniels、Farhad Forouhar、Presha Rajbhandari、Andrea Califano、Brent R. Stockwell

  DOI：10.1016/j.chembiol.2023.11.007

  日期：2024.4
• COMPOUNDS AND COMPOSITIONS THAT CAUSE MYCN AND/OR CMYC DEGRADATION AND METHODS OF USE THEREOF
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20220119399A1

  公开（公告）日：2022-04-21

  The present disclosure provides, inter alia, scaffolds and compounds having the structure: 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 (MycN AMP 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.
• [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。