(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-16-(methylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione | 603987-34-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-16-(methylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
• CAS: 603987-34-4
• 化学式: C₂₀H₂₅NO₆
• 分子量: 375.422
• InChiKey: ZDACFCFMMWTLTA-STBZDDNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 、 咪唑盐酸盐 、 双(三甲基硅烷基)氨基钾 作用下， 生成 (4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-16-(methylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
  参考文献：
  名称：

  Discovery of anti-inflammatory clinical candidate E6201, inspired from resorcylic lactone LL-Z1640-2, III

  摘要：

  Inspired by natural product, LL-Z1640-2, clinical candidate, E6201 ( 22) was discovered in a medicinal chemistry effort through total synthesis. The modification on C14-position to N-alkyl substitution showed to be potent in vitro and orally active in vivo in anti-inflammatory assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.087

文献信息

• MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS
  申请人：Boivin Roch

  公开号：US20110144101A1

  公开（公告）日：2011-06-16

  The present invention provides methods for the use of compounds having formula (I) in the treatment of various disorders including inflammatory or autoimmune disorders, and disorders involving malignancy or increased angiogenesis, wherein R 1 -R 11 , t, X, Y, Z, and n are as defined herein.

  本发明提供了使用具有公式（I）的化合物治疗各种疾病的方法，包括炎症或自身免疫性疾病，以及涉及恶性肿瘤或增加血管生成的疾病，其中R1-R11，t，X，Y，Z和n如本文所定义。
• Macrocyclic compounds useful as pharmaceuticals
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2308861A1

  公开（公告）日：2011-04-13

  The present invention provides compounds having formula (I), and additionally provides methods for the synthesis thereof and methods for the use thereof in the treatment of various disorders including inflammatory or autoimmune disorders, and disorders involving malignancy or increased angiogenesis, wherein R1-R11, t, X, Y, Z and n are as defined herein.

  本发明提供了具有式（I）的化合物，此外还提供了其合成方法以及用于治疗各种疾病（包括炎症性或自身免疫性疾病以及涉及恶性肿瘤或血管生成增加的疾病）的方法，其中 R1-R11、t、X、Y、Z 和 n 如本文所定义。
• Multikinase inhibitors for use in the treatment of cancer
  申请人：Eisai R&D Management Co., LTD.

  公开号：US11160783B2

  公开（公告）日：2021-11-02

  The present invention provides compounds, pharmaceutical compositions and methods for the treatment of specific cancers. Such compositions may generally comprise a compound of formula (I): wherein R1-R3 are as defined herein, or pharmaceutically acceptable salts or esters thereof; and a pharmaceutically acceptable carrier.

  本发明提供了用于治疗特定癌症的化合物、药物组合物和方法。此类组合物一般包含式（I）化合物： 其中 R1-R3 如本文所定义，或其药学上可接受的盐或酯；以及药学上可接受的载体。
• MULTIKINASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2182941B1

  公开（公告）日：2018-02-28
• METHODS FOR PROGNOSING THE ABILITY OF A ZEARALENONE ANALOG COMPOUND TO TREAT CANCER
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2215471B1

  公开（公告）日：2012-02-08