9-{[(2E)-3-甲基-4-(4-甲基-5-氧代-2,5-二氢-2-呋喃基)-2-丁烯-1-基]氧基}-7H-呋喃并[3,2-g]苯并吡喃-7-酮 | 87838-97-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 9-{[(2E)-3-甲基-4-(4-甲基-5-氧代-2,5-二氢-2-呋喃基)-2-丁烯-1-基]氧基}-7H-呋喃并[3,2-g]苯并吡喃-7-酮
• 中文别名: 山梨聚糖,三辛酸酯
• 英文名称: indicolactone
• 英文别名: Clausenacoumarine；9-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
• CAS: 87838-97-9
• 化学式: C₂₁H₁₈O₆
• 分子量: 366.37
• InChiKey: XVVBVBKVMMNZHB-LFYBBSHMSA-N

物化性质

• 沸点：
  612.6±55.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)
• LogP：
  1.597 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  75
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  9-{[(2E)-3-甲基-4-(4-甲基-5-氧代-2,5-二氢-2-呋喃基)-2-丁烯-1-基]氧基}-7H-呋喃并[3,2-g]苯并吡喃-7-酮 在 盐酸 作用下， 反应 2.0h， 以18 mg的产率得到花椒毒醇
  参考文献：
  名称：

  茴香单萜呋喃香豆素内酯

  摘要：

  摘要 对茴香花的再研究产生了欧前胡素、黄酮醇、兰沙酰胺-I 和三种新的呋喃香豆素内酯衍生物：茚内酯、茴香内酯和 2',3'-环氧茴香内酯。这些化合物的结构已通过光谱和化学方法的组合阐明。

  DOI：

  10.1016/s0031-9422(00)84114-x

文献信息

• FURANOCOUMARINS FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES
  申请人：Leeward Pacific Pte Ltd

  公开号：EP3389649B1

  公开（公告）日：2020-10-21
• COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES
  申请人：LEEWARD PACIFIC PTE LTD

  公开号：US20190046503A1

  公开（公告）日：2019-02-14

  The present invention provides a compound belonging to furanocoumarin derivative having core structure (A) as given below, its pharmaceutically acceptable salt, isomer or a combination thereof for the treatment and/or prevention of a parasitic mediated disease. The present invention also provides a method for manufacturing and isolating said compound as well as method for treatment and prevention of parasitic mediated disease using said compound. In a preferred embodiment, the parasite is Plasmodium falciparum , the disease mediated by the said parasite is malaria and the furanocoumarin derivative having core structure (A) is Anisolactone.
• [EN] COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES<br/>[FR] COMPOSÉ POUR UNE UTILISATION DANS LE TRAITEMENT ET/OU LA PRÉVENTION DE MALADIES D'ORIGINE PARASITAIRE
  申请人：LEEWARD PACIFIC PTE LTD

  公开号：WO2017155465A1

  公开（公告）日：2017-09-14

  The present invention provides a compound belonging to furanocoumarin derivative having core structure (A) as given below, its pharmaceutically acceptable salt, isomer or a combination thereof for the treatment and/or prevention of a parasitic mediated disease. The present invention also provides a method for manufacturing and isolating said compound as well as method for treatment and prevention of parasitic mediated disease using said compound. In a preferred embodiment, the parasite is Plasmodium falciparum, the disease mediated by the said parasite is malaria and the furanocoumarin derivative having core structure (A) is Anisolactone.