18β-olean-12-en-30-oic acid | 121291-12-1

• 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: 18β-olean-12-en-30-oic acid
• 英文别名: oleanen-(12)-oic acid-(30)；Oleanen-(12)-saeure-(30)；(2S,4aS,6aR,6aS,6bR,8aS,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
• CAS: 121291-12-1
• 化学式: C₃₀H₄₈O₂
• 分子量: 440.71
• InChiKey: BSRBYCQHNQFDJM-YFNWQLNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  18β-olean-12-en-30-oic acid 在 氯化亚砜 、 乙醚 、 镍 、 苯 作用下， 生成 30-acetoxy-oleanene-(12)
  参考文献：
  名称：

  有关三萜的知识。第123部分。关于Δ 12,13 -oleanen-OL-（30）

  摘要：

  DOI：

  10.1002/hlca.19480310134
• 作为产物：
  描述：

  (3beta,20beta)-3-羟基-11-氧代-齐墩果-12-烯-29-酸甲酯 在 盐酸 、 sodium dichromate 、 amalgamated zinc 、 硫酸 、 溶剂黄146 作用下， 生成 18β-olean-12-en-30-oic acid
  参考文献：
  名称：

  104.皂苷元。第十五部分。硅酸水杨酸

  摘要：

  DOI：

  10.1039/jr9420000540

文献信息

• NANOEMULSION OF 18BETA-GLYCYRRHETINIC ACID
  申请人：Atso Corporate Affairs, S.A. De C.V.

  公开号：EP4023219A1

  公开（公告）日：2022-07-06

  A pharmaceutical formulation which comprises 18β-glycyrrhetinic acid, said formulation being a nanoemulsion aimed at enhancing the bioavailability of the active ingredient, a method for preparing said formulation, and the use thereof in the treatment of infections caused by the human papillomavirus. The formulation is intended for application in the vaginal and cervical area for the treatment of infections caused by the human papillomavirus, such as cervicouterine cancer.

  一种包含 18β-甘草次酸的药物制剂，所述制剂为纳米乳剂，旨在提高活性成分的生物利用度；一种制备所述制剂的方法，及其在治疗由人类乳头瘤病毒引起的感染中的用途。该制剂用于阴道和宫颈部位，治疗由人类乳头瘤病毒引起的感染，如宫颈癌。
• Anti-tumor-promoter activity of modified glycyrrhetinic acid derivatives. Synthesis and structure-activity relationships
  作者：T Terasawa、T Okada、H Nishino

  DOI：10.1016/0223-5234(92)90088-i

  日期：1992.10

  A series of modified derivatives of 18alpha- and 18beta-glycyrrhetinic acid was systematically synthesized and their structure-activity relationships investigated for inhibition of the promoter activity of 12-O-tetradecanoylphorbol-13-acetate in vitro. Increased hydrophobicity in the A-ring moiety and the presence of an 11-oxo function were shown to be important for the high inhibition. Replacement of the carboxy to the hydroxymethyl group at the 20-position also enhanced the inhibitory activity.
• Glycyrrhetinic acid derivatives as potent inhibitors of Na+, K+-ATPase. Synthesis and structure-activity relationships
  作者：T Terasawa、T Okada、T Hara、K Itoh

  DOI：10.1016/0223-5234(92)90147-s

  日期：1992.6

  A series of ring A-modified GA derivatives (26 compounds) has been systematically synthesized and the structure-activity relationship investigated for inhibition of canine kidney Na+, K+-ATPase in vitro. The most potent inhibitory activity was found with a group of the 3-deoxygenated derivatives including 5, 6, 9, 10 and 11. The high inhibition may be closely related to the hydrophobic character of the A-ring of these compounds. This finding suggests that the ATP-binding site at the active center of the enzyme is located in a hydrophobic environment.
• US7790905B2
  申请人：——

  公开号：US7790905B2

  公开（公告）日：2010-09-07
• US7927613B2
  申请人：——

  公开号：US7927613B2

  公开（公告）日：2011-04-19