1,3,4-三羟基环己烷-1,5-丁内酯 | 640-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 中文名称: 1,3,4-三羟基环己烷-1,5-丁内酯
• 中文别名: 奎尼酸-γ-内酯
• 英文名称: 1,3,4-trihydroxy-6-oxa-bicyclo[3.2.1]octan-7-one
• 英文别名: 1,3,4-Trihydroxy-6-oxa-bicyclo[3.2.1]octan-7-on；1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-one
• CAS: 640-06-2；30816-23-0
• 化学式: C₇H₁₀O₅
• mdl: MFCD00525391
• 分子量: 174.153
• InChiKey: QPJRIFFWEBJVFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3,4-三羟基环己烷-1,5-丁内酯 生成 酸,(1S,3R,4R,5R)-3,4-二羟基-7-羰基-6-氧杂二环[3.2.1]辛-1-基2,2,2-三氯乙基酯碳
  参考文献：
  名称：

  NIKOLAIDES, NICHOLAS;GANEM, BRUCE, TETRAHEDRON LETT., 30,(1989) N2, C. 1461-1464

  摘要：

  DOI：
• 作为产物：
  描述：

  (-)-5-咖啡酰奎宁酸 生成 1,3,4-三羟基环己烷-1,5-丁内酯
  参考文献：
  名称：

  Gorter, Justus Liebigs Annalen der Chemie, 1911, vol. 379, p. 122

  摘要：

  DOI：

文献信息

• [EN] ANTI-INFLAMMATORY QUINIC ACID DERIVATIVES FOR ORAL ADMINISTRATION<br/>[FR] DÉRIVÉS ANTI-INFLAMMATOIRES DE L'ACIDE QUINIQUE POUR UNE ADMINISTRATION PAR VOIE ORALE
  申请人：UNIV TENNESSEE RES FOUNDATION

  公开号：WO2009062200A1

  公开（公告）日：2009-05-14

  Disclosed are compounds comprising analogs of quinic acids or shikimic acids having anti-inflammatory properties. The compounds are suitable for oral administration, stable, and demonstrate significant efficacy in inhibiting NF-kB, inhibiting leukocyte adhesion, and inhibiting other factors and cytokines known to be involved in inflammatory disease.

  揭示了一种含有奎尼酸或樟脑酸类似物的化合物，具有抗炎性能。这些化合物适合口服，稳定，并且在抑制NF-kB、抑制白细胞粘附以及抑制其他已知参与炎症性疾病的因子和细胞因子方面表现出显著的功效。
• Anti-Inflammatory Quinic Acid Derivatives for Oral Administration
  申请人：Yates Charles R.

  公开号：US20090234015A1

  公开（公告）日：2009-09-17

  Disclosed are compounds comprising analogs of quinic acids or shikimic acids having anti-inflammatory properties. The compounds are suitable for oral administration, stable, and demonstrate significant efficacy in inhibiting NF-kB, inhibiting leukocyte adhesion, and inhibiting other factors and cytokines known to be involved in inflammatory disease.

  本发明涉及一种具有抗炎性质的类奎尼酸或香豆酸类似物化合物。这些化合物适合口服，稳定，并且在抑制NF-kB，抑制白细胞粘附以及抑制其他已知参与炎症性疾病的因子和细胞因子方面表现出显著的功效。
• Anti-Inflammatory Quinic Acid Derivatives for Radioprotection/Radiomitigation
  申请人：Yates Charles Ryan

  公开号：US20120283331A1

  公开（公告）日：2012-11-08

  Disclosed are methods of use of analogs of quinic acids or shikimic acids for protection from the harmful effects of radiation when administered either prior to radiation exposure, after radiation exposure, or both. These methods are useful for treating humans and animals exposed to radiation and at risk for radiation sickness and/or death as the result of radiation exposure.

  本发明公开了使用奎尼酸或植酸的类似物在辐射暴露之前、之后或两者同时给药时保护人类和动物免受辐射有害影响的方法。这些方法对于治疗暴露于辐射并有辐射病和/或死亡风险的人类和动物非常有用。
• Anti-inflammatory quinic acid derivatives for oral administration
  申请人：——

  公开号：US08115031B2

  公开（公告）日：2012-02-14

  Disclosed are compounds comprising analogs of quinic acids or shikimic acids having anti-inflammatory properties. The compounds are suitable for oral administration, stable, and demonstrate significant efficacy in inhibiting NF-kB, inhibiting leukocyte adhesion, and inhibiting other factors and cytokines known to be involved in inflammatory disease.

  本发明公开了具有抗炎性质的植酸酸或香草酸类似物的化合物。这些化合物适合口服给药，稳定，并且在抑制NF-kB，抑制白细胞粘附以及抑制其他已知与炎症性疾病有关的因子和细胞因子方面表现出显著的功效。
• Anti-inflammatory quinic acid derivatives for radioprotection/radiomitigation
  申请人：Yates Charles Ryan

  公开号：US08906965B2

  公开（公告）日：2014-12-09

  Disclosed are methods of use of analogs of quinic acids or shikimic acids for protection from the harmful effects of radiation when administered either prior to radiation exposure, after radiation exposure, or both. These methods are useful for treating humans and animals exposed to radiation and at risk for radiation sickness and/or death as the result of radiation exposure.

  本发明揭示了使用类奎尼酸或香草酸的类似物在放射性辐射暴露之前、之后或两者同时给予以保护免受放射性辐射的有害影响的方法。这些方法对于治疗暴露于放射性辐射并有患放射病和/或死亡风险的人类和动物是有用的。

表征谱图