醋环氧戊喃 | 25161-41-5

• 物质功能分类: 生物化工 - 提取物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 醋环氧戊喃
• 中文别名: 乙酰缬草三酯；醋戊曲酯
• 英文名称: Acevaltrate
• 英文别名: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
• CAS: 25161-41-5
• 化学式: C₂₄H₃₂O₁₀
• 分子量: 480.5
• InChiKey: FWKBQAVMKVZEOT-STCFVSJZSA-N

物化性质

• 熔点：
  80-81 °C
• 沸点：
  538.7±50.0 °C(Predicted)
• 密度：
  1.26
• 溶解度：
  二甲基亚砜：≥125mg/mL（260.15mM）

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  10

制备方法与用途

醋戊曲酯是缬草类药物和膳食补充剂的主要活性成分，属于环稀醚萜类结构。它也是蜘蛛香中的一类活性环烯醚萜化合物，在中国药典2010年版一部中，被用作鉴别及含量测定的对照品。

醋戊曲酯可用于制备药物组合物。从Valeriana glechomifolia 中分离得到的醋戊曲酯能够抑制大鼠肾和脑半球中的Na+/K+-ATP酶活性，IC50分别为22.8±1.1 μM和42.3±1.0 μM。

其靶点IC50值如下：

• Na+ /K+ -ATPase（在大鼠肾脏中）: 22.8±1.1 μM
• Na+ /K+ -ATPase（在大鼠脑半球中）: 42.3±1.0 μM

此外，体外研究显示醋戊曲酯对大鼠P型ATP酶具有选择性抑制作用，在100 µM浓度下，能够实现60.7±7.3%的H+ /K+ -ATPase活性抑制。

文献信息

• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。
• AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS
  申请人：N-Zyme BioTec GmbH

  公开号：EP3409766A1

  公开（公告）日：2018-12-05

  The present invention relates to a polypeptide having esterase activity selected from the group consisting of (a) a polypeptide comprising the amino acid sequence of SEQ ID NO: 7; (b) a polypeptide that is at least 60 % identical to the amino acid sequence of SEQ ID NO: 7 and which is characterized by having an esterase activity; (c) a polypeptide encoded by a nucleic acid molecule which is at least 60 % identical to the nucleic acid sequence of SEQ ID NO: 5 or 6 wherein said polypeptide is characterized by having an esterase activity; (d) a polypeptide encoded by the nucleic acid molecule of SEQ ID NO: 5 or 6; and (e) a polypeptide encoded by the complementary sequence of a nucleic acid molecule that is able to hybridize with the nucleic acid molecule of SEQ ID NO: 5 or 6. Further, the present invention relates to a polypeptide having esterase activity selected from the group consisting of SEQ ID NO: 24 and 37 (as encoded by nuleic acid molecule of SEQ ID NO: 22 or 23 and SEQ ID NO: 35 and 36). The present invention also relates to a method for the production of oleacein, oleocanthal, or decarboxymethyl elenolic acid dialdehyde (DEDA) comprising the use of the esterase of the present invention. to an organism, preferably a plant cell, genetically engineered with a nucleic acid molecule encoding a polypeptide characterized by having an esterase activity or the vector of the present invention. The present invention also relates to a method for the production of oleacein, oleocanthal, and/or decarboxymethyl elenolic acid dialdehyde (DEDA) comprising the use of the esterase of the present invention.

  本发明涉及一种具有酯酶活性的多肽，该多肽选自由以下组成的组 (a) 包含 SEQ ID NO: 7 的氨基酸序列的多肽；(b) 与 SEQ ID NO: 7 的氨基酸序列至少 60% 相同的多肽，其特征在于具有酯酶活性；(c) 由核酸分子编码的多肽，该核酸分子与 SEQ ID NO: 5 或 6 的核酸序列至少 60% 相同，其中所述多肽的特征在于具有酯酶活性；(d) 由 SEQ ID NO: 5 或 6 的核酸分子编码的多肽；以及(e) 由 SEQ ID NO: 6 的核酸分子编码的多肽：5或6的核酸分子编码的多肽，其中所述多肽的特征在于具有酯酶活性；(d)由SEQ ID NO：5或6的核酸分子编码的多肽；以及(e)由能够与SEQ ID NO：5或6的核酸分子杂交的核酸分子的互补序列编码的多肽。此外，本发明涉及一种具有酯酶活性的多肽，该多肽选自 SEQ ID NO: 24 和 37（由 SEQ ID NO: 22 或 23 和 SEQ ID NO: 35 和 36 的核酸分子编码）组成的组。本发明还涉及一种生产油菜素、油菜醛或脱羧甲基烯醇酸二醛（DEDA）的方法，包括使用本发明的酯酶。本发明涉及一种生物体，最好是植物细胞，其基因工程中含有编码具有酯酶活性的多肽的核酸分子或本发明的载体。本发明还涉及一种生产油菜素、油菜醛和/或脱羧甲基烯醇酸二醛（DEDA）的方法，包括使用本发明的酯酶。
• Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration
  申请人：Counts David F.

  公开号：US10463611B2

  公开（公告）日：2019-11-05

  The present disclosure provides a once-daily water-soluble pharmaceutically active formulation for oral administration. In certain embodiments, the composition comprises a water-soluble pharmaceutically active organic compound incorporated into a small particulate, each particulate having a core of the water-soluble pharmaceutically active organic compound or an acceptable salt thereof in reversible association with a pharmaceutically acceptable drug-binding polymer. The core of the composition being surrounded by an insoluble water permeable membrane that is capable of delaying the dissolution of the pharmaceutically active compound therewithin and providing for extended release of the pharmaceutically active compound. In some embodiments, the formulation of the invention are designed to extend release of the pharmaceutically active organic compound for about 3 hours to about 8 hours, thereby enabling preparation of an extended release formulation for any pharmaceutically active compound with a half-life of from about 16 hours to about 21 hours.

  本公开提供了一种用于口服的每日一次水溶性药用活性制剂。在某些实施方案中，该组合物包括掺入小颗粒中的水溶性药用活性有机化合物，每个颗粒都有一个水溶性药用活性有机化合物或其可接受盐的核心，该核心与药学上可接受的药物结合聚合物可逆结合。组合物的核心由不溶性透水膜包围，该膜能够延迟其中的药用活性化合物的溶解，并延长药用活性化合物的释放时间。在某些实施方案中，本发明的制剂可将药用活性有机化合物的释放时间延长约 3 小时至约 8 小时，从而能够制备半衰期为约 16 小时至约 21 小时的任何药用活性化合物的缓释制剂。
• Process for the extraction of valerian root
  申请人：——

  公开号：US20030017220A1

  公开（公告）日：2003-01-23

  A process for preparing a pharmaceutically-active extract of the root of a plant of the family Valerianacae, specifically, Valeriana officinalis L., is described. This process comprises the steps of adding the roots to an alcoholic extraction solvent to form a mixture, wherein the alcoholic extraction solvent comprises between approximately 50% to approximately 100% (v/v) in a remainder of water, and heating the mixture to a temperature of between approximately 70° C. to approximately 80° C. for a period of at least approximately two hours. By this process valerenic acid is obtained in the extract, and the extract has a content of valepotriates and valepotriate degradation products or derivatives that is substantially reduced with respect to the content of valepotriates in the roots, and has a content of valerenic acids that is not substantially reduced with respect to the content of valerenic acids in the roots. Also preferably, the content of volatile oils in the extract is also not substantially with respect to the content of volatile oils in the roots. A pharmaceutically-active extract of the root of a plant of the family Valerianaceae is also described. This extract is obtained by a process comprising the steps of adding the roots to an alcoholic extraction solvent to form a mixture, wherein the alcoholic extraction solvent comprises between approximately 50% (v/v) to approximately 100% (v/v) in a remainder of water, and heating the mixture to a temperature of between approximately 70° C. to approximately 80° C. for a period of at least approximately two hours. This extract may be used in the formulation of an ingestible form, preferably exhibiting sedative and/or muscle relaxant, and/or anxiolytic activity.

  一种制备缬草科植物（具体地说是缬草属）根部具有药用活性的提取物的工艺、 Valeriana officinalis L.）根部的药用活性提取物的制备方法。该工艺包括以下步骤：将根茎加入醇提溶剂中形成混合物，其中醇提溶剂在剩余的水中含量约为 50%至 100%（v/v），然后将混合物加热至约 70°C 至约 80°C 的温度，持续至少约两小时。通过这一过程，萃取物中可获得缬草烯酸，萃取物中的缬草烯酸盐和缬草烯酸盐降解产物或衍生物的含量与根中缬草烯酸盐的含量相比大大降低，而缬草烯酸的含量与根中缬草烯酸的含量相比则不会大大降低。此外，萃取物中挥发油的含量最好也不低于根中挥发油的含量。还描述了一种具有药用活性的缬草科植物根提取物。这种提取物是通过以下步骤获得的：将根加入酒精提取溶剂中形成混合物，其中酒精提取溶剂在剩余的水中的含量约为 50%（v/v）至 100%（v/v），然后将混合物加热至约 70°C 至约 80°C 的温度，持续至少约两小时。这种提取物可用于配制可摄取剂型，最好具有镇静和/或肌肉松弛和/或抗焦虑活性。
• Composition for improving sleep quality and efficiency , and methods of preparing and using the composition
  申请人：——

  公开号：US20030096865A1

  公开（公告）日：2003-05-22

  A pharmaceutical composition comprising extracts of the root of a plant of the family Valerianacae, and methods of using such composition and/or extracts of the root of a plant of the family Valerianacae to improve sleep quality and sleep efficiency and to improve sleep structure and sleep architecture, are described. Sleep quality, sleep efficiency, sleep structure and sleep architecture may be in the context of various criteria or parameters, as described herein. Specifically, a pharmaceutical composition that reduces wake after sleep onset, increases total sleep time, increases sleep efficiency, and/or increases sleep time spent in sleep stages three and four, in a normal adult is described, the composition comprising therapeutically effective amounts of valerenic acid and its derivatives, kessane derivatives, valeranone, valerenal, and amino acids. The composition may be prepared by the steps of (i) adding the roots to an alcoholic extraction solvent to form a mixture, wherein the alcoholic extraction solvent comprises between approximately 50% (v/v) to approximately 100% (v/v) ethanol in a remainder of water, and (ii) heating the mixture to a temperature of between approximately 70° C. to approximately 80° C. for a period of at least two hours; wherein valerenic acid is present in the extract, the content of valepotriates in the extract is substantially reduced with respect to its content in the root, and the content of valerenic acids in the extract is not substantially reduced with respect to its content in the root; and minimizing the yield of unstable valepotriates. The valerenic acid derivative, where present, is preferably selected from acetoxyvalerenic acid, hydroxyvalerenic acid, valerenal, valerenol.

  本文描述了一种包含缬草科植物根提取物的药物组合物，以及使用这种组合物和/或缬草科植物根提取物改善睡眠质量和睡眠效率、改善睡眠结构和睡眠架构的方法。如本文所述，睡眠质量、睡眠效率、睡眠结构和睡眠构架可根据各种标准或参数来确定。具体来说，描述了一种药物组合物，该组合物可减少正常成人睡眠开始后的唤醒，增加总睡眠时间，提高睡眠效率，和/或增加睡眠三期和四期的睡眠时间，该组合物包含治疗有效量的缬草烯酸及其衍生物、癸烷衍生物、缬草酮、缬草烯醛和氨基酸。该组合物可通过以下步骤制备：(i) 将根加入醇提取溶剂中形成混合物，其中醇提取溶剂包括约 50% (v/v) 至约 100% (v/v) 的乙醇，其余为水；(ii) 将混合物加热至约 70°C 至约 80°C 的温度。其中缬草烯酸存在于萃取物中，萃取物中的缬草烯酸含量相对于其在根中的含量大大降低，而萃取物中的缬草烯酸含量相对于其在根中的含量没有大大降低；并将不稳定缬草烯酸的产量降至最低。缬草烯酸衍生物最好选自乙酰氧基缬草烯酸、羟基缬草烯酸、缬草烯醛、缬草烯醇。