3,5-dihydroxy-6-methyl-octanoic acid | 114454-40-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3,5-dihydroxy-6-methyl-octanoic acid
• 英文别名: 3,5-Dihydroxy-6-methyloctanoic acid
• CAS: 114454-40-9
• 化学式: C₉H₁₈O₄
• 分子量: 190.24
• InChiKey: LCTWRVPUGRLZPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-[3-hydroxy-5-[3-hydroxy-5-[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoyl]oxy-6-methyloxan-2-yl] (1R,2S,4R,5S,10R,14R,15S,18S,21R,22R,23S)-4,21-dihydroxy-1,2,8,8,15,22-hexamethyl-19-oxahexacyclo[12.11.0.02,11.05,10.015,23.018,22]pentacos-11-ene-5-carboxylate 、 碳酸氢钠 生成 3,5-dihydroxy-6-methyl-octanoic acid
  参考文献：
  名称：

  HIGUCHI, RYUICHI;TOKIMITSU, YOSHINORI;KOMORI, TETSUYA, PHYTOCHEMISTRY, 27,(1988) N 4, 1165-1168

  摘要：

  DOI：

文献信息

• Semi-synthetic saponin analogs with carrier and immune stimulatory activities for DNA and RNA vaccines
  申请人：Galenica Pharmaceuticals, Inc.

  公开号：US20040242502A1

  公开（公告）日：2004-12-02

  The present invention discloses novel saponin derivatives for use with nucleic acids that induce an immune response when administered to animals and humans. The novel saponin derivatives disclosed comprise (a) a saponin aglycone core, wherein the aglycone core is covalently linked to one or more oligosaccharide chains; (b) a positively charged cationic chain, and optionally (c) a naturally occurring or synthetic lipophilic chain. Pharmaceutical and veterinary compositions comprising one or more of the novel saponin derivatives and saponin derivative/polynucleotide complexes are also disclosed. Disclosed as well are methods of using the novel saponin derivatives to deliver a polynucleotide molecule to cells of an animal, to stimulate or generate an immune response in an animal, and to generate a detectable immune response in an animal.

  本发明揭示了一种新的皂苷衍生物，用于与核酸一起使用，当其被用于动物和人类时，能够诱导免疫反应。揭示的新型皂苷衍生物包括：（a）一个皂苷苷元核，其中该苷元核与一个或多个寡糖链共价连接；（b）一个带正电的阳离子链，以及可选的（c）一种天然或合成的亲脂链。还揭示了包含一种或多种新型皂苷衍生物和皂苷衍生物/多核苷酸复合物的制药和兽医组合物。还揭示了使用新型皂苷衍生物将多核苷酸分子递送到动物细胞中，刺激或产生动物的免疫反应，并在动物体内产生可检测的免疫反应的方法。
• Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors
  申请人：——

  公开号：US20010053363A1

  公开（公告）日：2001-12-20

  This invention relates to novel aldehyde containing compounds and their uses as adjuvants and immunoeffectors.

  本发明涉及新型含有醛基化合物及其用作佐剂和免疫增效剂的用途。
• Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors
  申请人：Corixa Corporation

  公开号：US20040063647A1

  公开（公告）日：2004-04-01

  This invention relates to novel aldehyde containing compounds and their uses as adjuvants and immunoeffectors.

  本发明涉及新的含有醛基的化合物及其作为佐剂和免疫效应物质的用途。
• An acylated triterpenoid saponin from Quillaja saponaria
  作者：Ryuichi Higuchi、Yoshinori Tokimitsu、Tetsuya Komori

  DOI：10.1016/0031-9422(88)80295-4

  日期：——

  Abstract A new major component in the acylated triterpenoid saponin mixture (called quillajasaponin) obtained from the bark of Quillaja saponaria was isolated in a pure state. It was characterized on the basis of chemical and spectral data as 3- O -β- d -galactopyranosyl-(1 → 2)-[β- d -xylopyranosyl-(1 → 3)]-β- d -glucuronopyranosyl quillaic acid 28- O -β- d -apiofuranosyl- (1 → 3)-β- d -xylopyranosyl-

  摘要 从皂树树皮中提取的酰化三萜皂苷混合物（称为皂树皂苷）中的一种新的主​​要成分以纯净状态分离出来。根据化学和光谱数据将其表征为 3- O -β- d -吡喃半乳糖基-(1 → 2)-[β- d -吡喃木糖基-(1 → 3)]-β- d -吡喃葡萄糖基奎拉糖酸 28 - O -β- d -apiofuranosyl- (1 → 3)-β- d -xylopyranosyl- (1 → 4)-[β- d -吡喃葡萄糖基- (1 → 3)]-α- l -rhamnopyranosyl-(1 → 2)-3-[5-O-[5-O-α-l-rhamnopyranosyl-(1 → 2)-α-l-arabinofuranosyl-3,5-dihydroxy-6-methyl-octanoyl]-3,5-二羟基-6-甲基-辛酰基]-β-d-吡喃岩藻糖苷。从 3,28-O-双糖苷中选择性地提供 28-O-
• Polynucleotide binding complexes comprising sterols and saponin
  申请人：Nordic Vaccine Technology A/S

  公开号：EP2011517A1

  公开（公告）日：2009-01-07

  The present invention pertains to complexes comprising sterols and saponins. The complexes are capable of binding a genetic determinant including a polynucleotide. The complexes may further comprise a lipophilic moiety, optionally a lipophilic moiety comprising a contacting group and/or a targeting ligand, and/or a saccharide moiety. The complexes may further comprise an immunogenic determinant and/or an antigenic determinant and/or a medicament and/or a diagnostic compound. The complexes may in even further embodiments be encapsulated by an encapsulation agent including a biodegradable microsphere. The present invention also pertains to pharmaceutical compositions and methods of treatment of an individual by therapy and/or surgery, methods of cosmetic treatment, and diagnostic methods practised on the human or animal body.

  本发明涉及由甾醇和皂甙组成的复合物。这些复合物能够结合包括多核苷酸在内的遗传决定因子。复合物可进一步包含亲脂分子，可选择包含接触基团和/或靶向配体的亲脂分子和/或糖分子。复合物可进一步包括免疫原决定簇和/或抗原决定簇和/或药物和/或诊断化合物。在更进一步的实施方案中，复合物可被包括生物可降解微球在内的封装剂封装。本发明还涉及通过治疗和/或手术对个体进行治疗的药物组合物和方法、美容治疗方法以及对人体或动物体进行诊断的方法。