Kaur-16-en-19-saeure | 5095-09-0

• 物质功能分类: 天然产物 - 萜类
• 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: Kaur-16-en-19-saeure
• 英文别名: (1S,5R,9S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
• CAS: 5095-09-0；6730-83-2；14046-76-5；19941-50-5；20316-84-1；34426-48-7；98523-71-8
• 化学式: C₂₀H₃₀O₂
• 分子量: 302.457
• InChiKey: NIKHGUQULKYIGE-QNTAIWHDSA-N

物化性质

• 熔点：
  171-172 °C
• 沸点：
  426.6±34.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：10mg/mL； DMSO：25mg/mL； DMSO:PBS (pH 7.2) (1:2)：0.3 mg/ml；乙醇：10mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

制备方法与用途

生物活性

Kaurenoic acid 是一种来源于 Sphagneticola trilobata 的二萜，能够通过抑制细胞因子的产生和激活 NO–cyclic GMP–PKG–ATP- 敏感型钾通道信号通路来抑制炎症疼痛。

化学性质

Kaurenoic acid 为白色结晶粉末，可溶于甲醇、乙醇及 DMSO 等有机溶剂。它主要来源于五加皮（含 1% 含量）、白簕叶等植物。

用途

异贝壳杉烯酸具有多种药理活性作用，包括抗菌、舒缓血管平滑肌、抗 HIV、抗痉挛、抗血小板聚集、抗肿瘤、降压、利尿以及预防骨质疏松和抗炎等。此外，它还用于含量测定、鉴定及药理实验等相关研究。

文献信息

• Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators
  申请人：Palladino Michael A.

  公开号：US20080064753A1

  公开（公告）日：2008-03-13

  Described herein are chemical compounds and pharmaceutical compositions, including novel chemical compounds and pharmaceutical compositions thereof, useful in the treatment of various diseases and disease states. Also described are methods of synthesizing natural products and novel, structurally-related chemical compounds. More particularly, disclosed are new analogs of and processes for the preparation of compounds and pharmaceutical compositions thereof useful in the treatment of, for example, inflammation, cancer, multiple myeloma, cachexia, cardiovascular disease, anti-infectious, diabetes, otitis media, sinusitis and transplant rejection.

  本文描述了一些化合物和药物组合物，包括新颖的化合物和药物组合物，它们可用于治疗各种疾病和疾病状态。同时，还描述了合成天然产物和新的、结构相关的化合物的方法。更具体地，披露了新的模拟物和制备它们的化合物和药物组合物的过程，这些化合物和药物组合物可用于治疗炎症、癌症、多发性骨髓瘤、消瘦症、心血管疾病、抗感染、糖尿病、中耳炎、鼻窦炎和移植排斥等疾病。
• INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS
  申请人：Palladino Michael A.

  公开号：US20110160309A1

  公开（公告）日：2011-06-30

  Described herein are chemical compounds and pharmaceutical compositions, including novel chemical compounds and pharmaceutical compositions thereof, useful in the treatment of various diseases and disease states. Also described are methods of synthesizing natural products and novel, structurally-related chemical compounds. More particularly, disclosed are new analogs of and processes for the preparation of compounds and pharmaceutical compositions thereof useful in the treatment of, for example, inflammation, cancer, multiple myeloma, cachexia, cardiovascular disease, anti-infectious, diabetes, otitis media, sinusitis and transplant rejection.

  本文描述了化学化合物和药物组合物，包括新型化学化合物和药物组合物，用于治疗各种疾病和疾病状态。还描述了合成天然产物和新的结构相关化学化合物的方法。更具体地，披露了用于治疗炎症、癌症、多发性骨髓瘤、消瘦、心血管疾病、抗感染、糖尿病、中耳炎、鼻窦炎和移植排斥等疾病的化合物和药物组合物的新类似物和制备方法。
• Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators
  申请人：Palladino Michael

  公开号：US20080188475A1

  公开（公告）日：2008-08-07

  Disclosed herein are novel tricyclic diterpene compounds. These compounds, including their prodrug esters and acid-addition salts, are useful as Interleukin-1 and Tumor Necrosis Factor-alpha modulators, and thus useful in the treatment of various diseases. Pharmaceutical compositions comprising, and uses of, theapeautically effective amounts of the above compounds and their prodrug esters, and pharmaceutically acceptable carrier, are also disclosed, and are useful as, for example, anti-inflamatory analgestics, treatments for immune disorders, anti-cancer and anti-tumor agents, and in the treatment of cardiovascular disease, skin redness, and viral infection, for example. Completley synthetic and semi-synthetic methods of making these compounds and their analogs are disclosed.
• US7288671B2
  申请人：——

  公开号：US7288671B2

  公开（公告）日：2007-10-30
• US7342125B2
  申请人：——

  公开号：US7342125B2

  公开（公告）日：2008-03-11