苦木内酯D | 35321-80-3

• 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
• 中文名称: 苦木内酯D
• 英文名称: simalikalactone D
• 英文别名: [(1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] (2R)-2-methylbutanoate
• CAS: 35321-80-3
• 化学式: C₂₅H₃₄O₉
• 分子量: 478.54
• InChiKey: OKIKYYZNNZCZRX-UWGUCYGSSA-N

物化性质

• 沸点：
  677.7±55.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  pre-simalikalactone D 、 (R)-(-)-2-methylbutyric acid anhydride 在 4-二甲氨基吡啶 、 三氯化铝 、 三溴化硼 、 乙腈 、 sodium iodide 作用下， 生成 、 苦木内酯D
  参考文献：
  名称：

  Synthetic studies on quassinoids: total synthesis of simalikalactone D and assignment of the absolute configuration of the .alpha.-methylbutyrate ester side chain.

  摘要：

  DOI：

  10.1021/ja00033a087

文献信息

• Therapeutic quassinoid preparations with antineoplastic, antiviral, and herbistatic activity
  申请人：Advanced Research & Technology Institute

  公开号：EP1325922A2

  公开（公告）日：2003-07-09

  The present invention includes purified and isolated quassinoids and synthetically derived quassinoid analogs based on a picrasane carbon skeleton. Novel sidechains at C-15 incorporating water solubilizing agents such as glycine are discussed. Therapeutic methods taking advantage of anticancer, antiviral, and herbistatic properties of these quassinoids are disclosed, including use against solid tumors and human immunodeficiency virus infected cells.

  本发明包括纯化和分离出的类槲皮素以及基于皮康烷碳骨架合成的类槲皮素类似物。本发明还讨论了在 C-15 位加入水溶性物质（如甘氨酸）的新型侧链。此外，还公开了利用这些类槲皮素的抗癌、抗病毒和草药特性的治疗方法，包括用于治疗实体瘤和人类免疫缺陷病毒感染细胞。
• Microbicidal and antiparasitic compositions comprising quassinoids or quassionid-containing plant extracts
  申请人：Life Science Investments Ltd.

  公开号：EP2279736A1

  公开（公告）日：2011-02-02

  Pharmaceutical or dermo-cosmetic compositions for the treatment of a skin disorder selected from facial erythrosis, couperose, rosacea and seborrheic dermatitis.

  用于治疗选自面部红血丝、红斑痤疮、酒渣鼻和脂溢性皮炎的皮肤疾病的药物或皮肤美容组合物。
• USE OF QUASSIA-EXTRACT FOR A SEED TREATMENT AS INSECTICIDE
  申请人：KWS SAAT SE & Co. KGaA

  公开号：EP4091448A1

  公开（公告）日：2022-11-23

  The present invention relates to the protection of seed and plants from damage caused by insects. Treatment with Quassia extract or quassinoid(s) provides seeds, which are protected against insects, especially wireworms.

  本发明涉及保护种子和植物免受昆虫危害。使用槲寄生提取物或槲皮素处理种子，可防止昆虫，特别是线虫的危害。
• Tea catechins in sustained release formulations as cancer specific proliferation inhibitors
  申请人：Purdue Research

  公开号：US20020176898A1

  公开（公告）日：2002-11-28

  The invention described herein encompasses a methods and compositions of treating cancer or solid tumors comprising the administration of a therapeutically effective amount of catechins, a group of polyphenols found in green tea, to a mammal in need of such therapy. Compositions of catechins include but not limited to, epigallocatechin gallate (EGCg), epicatechin (EC), epicatechin gallate (ECG), epigallocatechin (EGC). The unique compositions of the invention contain various combinations of the catechins, alone or in combination with each other or other therapeutic agents and are used to treat primary and metastatic cancers in humans. The invention also encompasses the varying modes of administration of the therapeutic compounds, including a sustained release formulation which may be used as a therapeutic compound for the treatment of cancer or as a dietary supplement for the prevention of cancer.

  本发明涉及一种治疗癌症或实体瘤的方法和组合物，包括向需要治疗的哺乳动物施用治疗有效量的儿茶素，儿茶素是绿茶中的一类多酚。儿茶素成分包括但不限于表没食子儿茶素没食子酸酯（EGCg）、表儿茶素（EC）、表儿茶素没食子酸酯（ECG）、表没食子儿茶素（EGC）。本发明的独特组合物包含儿茶素的各种组合，可单独使用，也可相互组合或与其他治疗剂组合使用，用于治疗人类的原发性和转移性癌症。本发明还包括治疗化合物的不同给药方式，包括一种缓释制剂，可用作治疗癌症的治疗化合物或预防癌症的膳食补充剂。
• Cancer chemopreventative compounds and compositions and methods of treating cancers
  申请人：——

  公开号：US20020193425A1

  公开（公告）日：2002-12-19

  A composition and method of cancer treatment is disclosed. The composition and method utilize brusatol, bruceantin, glaucarubolone, and derivatives thereof as active cancer treating agent in mammals, including humans.

  本研究公开了一种癌症治疗组合物和方法。该组合物和方法利用布鲁沙托、布鲁沙托、格拉鲁勃龙及其衍生物作为哺乳动物（包括人类）的活性癌症治疗剂。