地戊曲酯 | 18296-45-2

• 物质功能分类: 天然产物 - 环烯醚萜衍生物
• 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: 地戊曲酯
• 中文别名: 异戊曲酯
• 英文名称: Didrovaltrate
• 英文别名: [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
• CAS: 18296-45-2
• 化学式: C₂₂H₃₂O₈
• 分子量: 424.491
• InChiKey: PHHROXLDZHUIGO-PNBTUHDLSA-N

物化性质

• 熔点：
  63-64℃
• 沸点：
  507.5±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  8

制备方法与用途

生物活性

Didrovaltrate（Didrovaltratum）是从缬草根中分离出的一种具有细胞毒性与抗肿瘤作用的化合物。

反应信息

• 作为反应物：
  描述：

  地戊曲酯 在 三氟化硼乙醚 作用下， 以 苯 为溶剂， 反应 0.08h， 以8%的产率得到4-Acetoxy-3-hydroxymethyl-8-isovaleroxy-10-methylen-2,9-dioxatricyclo(4.3.1.0^3,7)decan
  参考文献：
  名称：

  二羟戊酸和高二羟戊酸的新降解产物

  摘要：

  当二氢戊酸 (1a) 或高二氢戊酸 (1b) 与 BF3 醚合物反应时，形成 2,9-二氧杂三环癸烷 2b 和 2c。

  DOI：

  10.1002/ardp.19833160711

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。
• Treatment of spasticity, convulsions by isovaleric acid derivatives CNS depressants
  申请人：NPS PHARMACEUTICALS, INC.

  公开号：EP1516619A2

  公开（公告）日：2005-03-23

  Preparations and extracts of valerian, as well as isovaleramide, isovaleric acid, and its pharmaceutically acceptable salts, esters, and substituted amides, exhibit clinically significant pharmacological properties which implicate a treatment for a variety of pathological conditions, including spasticity and convulsions, which are ameliorated by effecting a mild depression of CNS activity. The compositions in question generally are non-cytotoxic and do not elicit weakness or seductive activity at doses that are effective for the symptomatic treatment of such pathological conditions.

  缬草的制剂和提取物以及异戊酰胺、异戊酸及其药学上可接受的盐、酯和取代酰胺具有显著的临床药理特性，可用于治疗各种病症，包括痉挛和抽搐，这些病症可通过轻度抑制中枢神经系统的活性而得到改善。这些成分一般不具有细胞毒性，在对症治疗此类病症有效的剂量下，不会引起虚弱或诱导性活动。
• Composition comprising isovaleramide and ibuprofen
  申请人：NPS PHARMACEUTICALS, INC.

  公开号：EP1576962A1

  公开（公告）日：2005-09-21

  Preparations and extracts of valerian, as well as isovaleramide, isovaleric acid, and its pharmaceutically acceptable salts, esters, and substituted amides, and other valerian-related compounds, in combination with NSAIDs exhibit clinically significant pharmacological properties which implicate a treatment for acute muscular aches, strains, and sprains which occur from a localized, external insult to a particular muscle or muscle group outside of, or peripheral to, the CNS. The compositions in question generally are non-cytotoxic and do not elicit weakness or sedative activity at doses that are effective for the symptomatic treatment of such pathological conditions.

  缬草的制剂和提取物，以及异戊酰胺、异戊酸及其药学上可接受的盐、酯和取代酰胺，以及其他与缬草有关的化合物，与非甾体抗炎药结合使用，具有显著的临床药理特性，可用于治疗急性肌肉酸痛、拉伤和扭伤，这些症状是由于中枢神经系统以外或外周的特定肌肉或肌肉群受到局部的外部损伤而引起的。这些成分一般不具有细胞毒性，在对症治疗此类病症有效的剂量下，不会引起虚弱或镇静作用。
• Controlled-release compositions of melatonin combined with sedative and/or analgesic ingredients
  申请人：Physician's Seal, LLC

  公开号：US10143654B2

  公开（公告）日：2018-12-04

  Controlled-release therapeutic compositions including melatonin combined with sedative and/or analgesic ingredients are described. The compositions have a solid core including melatonin in an acidified polymeric matrix. A sedative ingredient such as GABA receptor agonist may also be in the acidified polymeric matrix. The composition may include an expedited release portion providing a burst release of active ingredients and a sustained release portion providing a sustained release of active ingredients.

  所述控释治疗组合物包括与镇静和/或镇痛成分相结合的褪黑素。这些组合物有一个固体核心，包括酸化聚合物基质中的褪黑素。酸化聚合物基质中还可含有 GABA 受体激动剂等镇静成分。组合物可包括提供活性成分快速释放的速释部分和提供活性成分持续释放的缓释部分。
• Valerian composition and related methods
  申请人：Physician's Seal, LLC

  公开号：US10342873B2

  公开（公告）日：2019-07-09

  A valerian composition includes a therapeutically effective pharmaceutical dosage form having a solid core including a polymer in which valerian and a valerian stability improving amount of an acidifying agent are contained. The valerian stability improving amount of acidifying agent being sufficient to impart a pH of 2 to 5 to the polymer.

  缬草组合物包括一种治疗有效的药物剂型，其固体核心包括一种聚合物，其中含有缬草和缬草稳定性改进量的酸化剂。提高缬草稳定性的酸化剂用量足以使聚合物的 pH 值达到 2 至 5。