Pinusolid | 31685-80-0

• 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: Pinusolid
• 英文别名: (1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-decahydro-naphthalene-1-carboxylic acid methyl ester；methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
• CAS: 31685-80-0；67890-43-1
• 化学式: C₂₁H₃₀O₄
• 分子量: 346.467
• InChiKey: WTKBZJAWPZXKJU-MSLCQOBGSA-N

物化性质

• 熔点：
  82-84 °C(Solv: ligroine (8032-32-4))
• 沸点：
  465.3±38.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。
• LogP：
  4.520 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 (1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-decahydro-naphthalene-1-carboxylic acid 以 乙醚 为溶剂， 反应 2.0h， 以2 mg的产率得到Pinusolid
  参考文献：
  名称：

  Pinusolidic Acid: A Platelet-Activating Factor Inhibitor fromBiota orientalis

  摘要：

  The water extract of Biota orientalis showed a potent inhibitory effect on platelet activating factor (PAF) binding to rabbit platelets using [3 H]PAF as a ligand in our previous screening studies for Korean medicinal antagonists by the activitiy-guided purification studies. Another active compound, compound 1 (IC50 = 2.3 × 10-5M, 7.48 ± 2.11 µg/ml, n = 4) was isolated from the title plant. The chemical structure of compound 1 was elucidated as pinusolidic acid by chemical and spectrometric analyses

  DOI：

  10.1055/s-2006-957371

文献信息

• LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF
  申请人：Sun Yat-Sen University

  公开号：EP2857391A1

  公开（公告）日：2015-04-08

  Provided in the present invention are various labdane diterpenoid compounds and derivatives thereof for use in preparation of a pharmaceutical composition for preventing or treating neurodegenerative diseases. Also provided in the present invention is a semen biotae extract comprising one or more labdane diterpenoid compounds and derivatives thereof for use in preparation of a pharmaceutical composition for preventing or treating neurodegenerative diseases.

  本发明提供了各种唇形二萜化合物及其衍生物，用于制备预防或治疗神经退行性疾病的药物组合物。本发明还提供了一种精液生物提取物，其中包含一种或多种唇形二萜化合物及其衍生物，用于制备预防或治疗神经退行性疾病的药物组合物。
• METHOD FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES
  申请人：Su Weiwei

  公开号：US20160082059A1

  公开（公告）日：2016-03-24

  Provided herein is a method for preventing or treating neurodegenerative disease in a subject, comprising administrating to the subject an effective amount of a composition which comprises a semen biotae extract. The neurodegenerative disease is associated with α-synuclein, such as Alzheimer's disease, Parkinson's disease, Huntington disease, or Amyotrophic lateral sclerosis.
• US9682111B2
  申请人：——

  公开号：US9682111B2

  公开（公告）日：2017-06-20