(8E,12E,14E)-7-acetoxy-3,6-dihydroxy-6,10,12,16,20-pentamethyl-21-oxo-18,19-epoxytricosa-8,12,14-trien-11-olide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (8E,12E,14E)-7-acetoxy-3,6-dihydroxy-6,10,12,16,20-pentamethyl-21-oxo-18,19-epoxytricosa-8,12,14-trien-11-olide
• 英文别名: Pladienolide C；[(4E)-7,10-dihydroxy-3,7-dimethyl-2-[(2E,4E)-6-methyl-7-[3-(3-oxopentan-2-yl)oxiran-2-yl]hepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
• 化学式: C₃₀H₄₆O₈
• 分子量: 534.69
• InChiKey: VRTKSDIDOZIAJU-VHSLCUDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-氯苯甲酰乙腈 、 (8E,12E,14E)-7-acetoxy-3,6-dihydroxy-6,10,12,16,20-pentamethyl-21-oxo-18,19-epoxytricosa-8,12,14-trien-11-olide 以 吡啶 为溶剂， 反应 16.0h， 以42%的产率得到(8E,12E,14E)-7-acetoxy-3,6-dihydroxy-21-methoxyimino-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide
  参考文献：
  名称：

  EP1380579

  摘要：

  公开号：
• 作为产物：
  描述：

  在 水 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以54%的产率得到(8E,12E,14E)-7-acetoxy-3,6-dihydroxy-6,10,12,16,20-pentamethyl-21-oxo-18,19-epoxytricosa-8,12,14-trien-11-olide
  参考文献：
  名称：

  EP1380579

  摘要：

  公开号：

文献信息

• Novel bioactive substance
  申请人：Mizui Yoshiharu

  公开号：US20060079572A1

  公开（公告）日：2006-04-13

  The present invention provides a novel bioactive substance having an antitumor activity and a process for producing it, and a medical use thereof. Namely, it provides a 12-membered ring macrolide compound represented by the following formula obtained from the incubation solution of Streptomyces sp. Mer. 11107 or a variant thereof, a pharmacologically acceptable salt thereof or a hydrate of them, and a process for producing it.

  本发明提供了一种具有抗肿瘤活性的新型生物活性物质及其制备方法和医药用途。具体而言，本发明提供了一种12元环大环内酯化合物，其化学式如下，该化合物是从链霉菌属海洋菌株Mer.11107或其变体的培养液中获得的，是一种药理学上可接受的盐或水合物，以及其制备方法。
• NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES
  申请人：MERCIAN CORPORATION

  公开号：EP1380579A1

  公开（公告）日：2004-01-14

  The presentinvention provides a novel bioactive substance having an antitumor activity and a process for producing it, and a medical use thereof. Namely, it provides a 12-membered ring macrolide compound represented by the following formula obtained from the incubation solution of Streptomyces sp. Mer. 11107 or a variant thereof, a pharmacologically acceptable salt thereof or a hydrate of them, and a process for producing it.

  本发明提供了一种具有抗肿瘤活性的新型生物活性物质及其生产工艺和医疗用途。也就是说，本发明提供了一种由链霉菌 Mer.11107 或其变体、其药理学上可接受的盐或其水合物所代表的 12 元环大环内酯化合物及其生产工艺。
• METHOD OF STABILIZING MACROLIDE COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1710244A1

  公开（公告）日：2006-10-11

  The present invention provides a method for stabilizing a macrolide compound, and an efficient method for producing the compound. Specifically, it provides a method for stabilizing a macrolide compound, in which a 12-membered ring macrolide compound, such as a compound expressed by the formula (1) and a cyclodextrin are both present, and a method for producing a macrolide compound, in which a cyclodextrin is made to be present in a culture broth of actinomycetes having an ability of producing the macrolide compound.

  本发明提供了一种稳定大环内酯化合物的方法，以及生产该化合物的有效方法。具体地说，本发明提供了一种稳定大环内酯化合物的方法，其中同时存在 12 元环大环内酯化合物（例如由式（1）表示的化合物）和环糊精，以及一种生产大环内酯化合物的方法，其中使环糊精存在于具有生产大环内酯化合物能力的放线菌的培养液中。
• Macrolides with VEGF transcription suppression activity
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2277880A1

  公开（公告）日：2011-01-26

  The present invention provides a novel bioactive substance having an antitumor activity and a process for producing it, and a medical use thereof. Namely, it provides a 12-membered ring macrolide compound represented by the following formula obtained from the incubation solution of Streptomyces sp. Mer. 11107 or a variant thereof, a pharmacologically acceptable salt thereof or a hydrate of them, and a process for producing it.

  本发明提供了一种具有抗肿瘤活性的新型生物活性物质及其生产工艺和医疗用途。也就是说，本发明提供了一种由链霉菌 Mer.11107 或其变体、其药理学上可接受的盐或其水合物所代表的 12 元环大环内酯化合物及其生产工艺。
• Method for stabilizing macrolide compounds
  申请人：Ishihara Hiroshi

  公开号：US20070155696A1

  公开（公告）日：2007-07-05

  The present invention provides a method for stabilizing a macrolide compound, and an efficient method for producing the compound. Specifically, it provides a method for stabilizing a macrolide compound, in which a 12-membered ring macrolide compound, such as a compound expressed by the formula (1) and a cyclodextrin are both present, and a method for producing a macrolide compound, in which a cyclodextrin is made to be present in a culture broth of actinomycetes having an ability of producing the macrolide compound.