N-Methyldaunomycin | 67508-86-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: N-Methyldaunomycin
• 英文别名: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• CAS: 67508-86-5
• 化学式: C₂₈H₃₁NO₁₀
• 分子量: 541.5
• InChiKey: NQDLNSRKFPKZCV-RWNSZTQCSA-N

物化性质

• 沸点：
  768.9±60.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  172
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3-溴丙烯 、 N-Methyldaunomycin 生成 (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[methyl(prop-2-enyl)amino]oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
  参考文献：
  名称：

  HERMENTIN, PETER;KRAEMER, HANS PETER;HOFFMANN, DIETER;KOLAR, CENEK;RAAB, +

  摘要：

  DOI：

文献信息

• [EN] HYDROGELATORS COMPRISING D-AMINO ACIDS<br/>[FR] COMPOSÉS FORMANT DES HYDROGELS COMPRENANT DES ACIDES AMINÉS D
  申请人：UNIV BRANDEIS

  公开号：WO2014074789A1

  公开（公告）日：2014-05-15

  Described herein are compounds comprising an oligopeptide and a non-steroidal antiinflammatory agent. The compounds self-assemble into supramolecular hydrogels and can be used as topical treatments for inflammatory conditions, such as osteoarthritis. Also described herein are oligopeptides compounds made from D-amino acid residues that form supramolecular hydrogels. The compounds may be functionalized with active agents, such as anticancer therapeutic agents, antiinflammatory agents, or imaging agents, therefore providing new mechanisms for delivery of active agents.

  本文描述了包含寡肽和非甾体抗炎药物的化合物。这些化合物自组装成超分子水凝胶，可用作治疗炎症病症，如骨关节炎的局部治疗。本文还描述了由D-氨基酸残基制成的寡肽化合物，形成超分子水凝胶。这些化合物可以与活性剂（如抗癌治疗剂、抗炎药物或成像剂）功能化，从而提供了传递活性剂的新机制。
• Hypoxia-Activated Anti-Cancer Agents
  申请人：Matteucci Mark

  公开号：US20080132458A1

  公开（公告）日：2008-06-05

  Prodrugs of cyclic anthracyclin toxins comprising a hypoxia-activated trigger and are disclosed. In addition, methods of treating cancer using the compounds of the invention are disclosed.

  环蒽毒素的前药包括一个缺氧活化触发器，并且已经披露。此外，还披露了使用该发明化合物治疗癌症的方法。
• [EN] METHODS OF USING MODIFIED CYTOTOXINS TO TREAT CANCER<br/>[FR] PROCÉDÉS D'UTILISATION DE CYTOTOXINES MODIFIÉES POUR TRAITER LE CANCER
  申请人：UNIV NORTHWESTERN

  公开号：WO2021007322A1

  公开（公告）日：2021-01-14

  The present disclosure provides methods of using prodrugs of small-molecule cytotoxins for the treatment of cancer. In some embodiments, the cancer is a tumor comprising cells that overexpress fatty acid uptake proteins, such as cells that overexpress fatty acid translocase CD36. In some other aspects, the disclosure provides compositions suitable for use in such methods. In some further aspects, the disclosure provides combination therapies that may be suitable used in combination with the use of small-molecule prodrugs disclosed herein.

  本公开提供了使用小分子细胞毒素的前药治疗癌症的方法。在一些实施例中，癌症是包含过度表达脂肪酸摄取蛋白的细胞的肿瘤，例如过度表达脂肪酸转运酶CD36的细胞。在其他一些方面，本公开提供了适用于此类方法的组合物。在进一步的一些方面，本公开提供了可能适用于与本公开所披露的小分子前药的使用相结合的组合治疗方法。
• HYDROGELATORS COMPRISING D-AMINO ACIDS
  申请人：BRANDEIS UNIVERSITY

  公开号：US20150306232A1

  公开（公告）日：2015-10-29

  Described herein are compounds comprising an oligopeptide and a non-steroidal antiinflammatory agent. The compounds self-assemble into supramolecular hydrogels and can be used as topical treatments for inflammatory conditions, such as osteoarthritis. Also described herein are oligopeptides compounds made from D-amino acid residues that form supramolecular hydrogels. The compounds may be functionalized with active agents, such as anticancer therapeutic agents, antiinflammatory agents, or imaging agents, therefore providing new mechanisms for delivery of active agents.

  本文描述了包含寡肽和非甾体抗炎药物的化合物。这些化合物自组装成超分子水凝胶，并可用作局部治疗炎症疾病，如骨关节炎。本文还描述了由D-氨基酸残基制成的寡肽化合物，形成超分子水凝胶。这些化合物可与活性剂（如抗癌治疗剂、抗炎剂或成像剂）功能化，因此提供了新的活性剂传递机制。
• Trigger-activatable metabolic sugar precursors for cancer-selective labeling and targeting
  申请人：The Board of Trustees of the University of Illinois

  公开号：US11014953B2

  公开（公告）日：2021-05-25

  Disclosed are compounds for the selective labeling of cell-surface sugars in cancer cells. The compounds are activatable by triggers specific to cancer cells, and, when metabolized, label a cancer cell surface sugar with an azide chemical group. Facilitated by a click chemistry reaction, combination of the cell surface-expressed azide with a alkynyl-drug conjugate enables efficient targeted drug delivery to cancer cells with reduced toxicity. Also disclosed are compounds for delivering a drug to an azide-bearing cancer cell, and methods of treating cancer using the compounds of the invention.

  本发明公开了用于选择性标记癌细胞表面糖的化合物。这些化合物可被癌细胞的特异性诱因激活，代谢后会用叠氮化学基团标记癌细胞表面糖。在点击化学反应的促进下，细胞表面表达的叠氮化物与炔基药物共轭物的结合可实现对癌细胞的高效靶向给药，同时降低毒性。本发明还公开了向含叠氮化物的癌细胞递送药物的化合物，以及使用本发明化合物治疗癌症的方法。