泻根醇酸 | 24480-45-3

• 物质功能分类: 天然产物 - 萜类
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 泻根醇酸
• 英文名称: bryonolic acid
• 英文别名: 20-epibryonolic acid；(2s,4As,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid；(2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
• CAS: 24480-45-3
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: BHVJSLPLFOAMEV-UHIFYLTQSA-N

物化性质

• 熔点：
  303.5 °C
• 沸点：
  553.3±50.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。
• LogP：
  8.404 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  33
• 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：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 泻根醇酸 以 吡啶 为溶剂， 反应 8.0h， 以70%的产率得到bryonolic acid 3-succinate
  参考文献：
  名称：

  天然和合成化合物对细胞粘附分子ICAM-1和VCAM-1的细胞表面表达的影响。

  摘要：

  测试了各种天然和合成化合物，包括生物碱，萜类化合物和酚类化合物对细胞间粘附分子1（ICAM-1）和血管细胞粘附分子1（VCAM-1）的细胞表面表达的抑制作用，这两者在细胞凋亡中起着至关重要的作用。调节免疫反应和炎症。在测试的40种化合物中，有两种化合物显着下调了鼠内皮细胞（F-2）上VCAM-1的表达，而有十种ICAM-1在小鼠髓样白血病细胞（M1）上的表达。氯化血红素（5）和异黄体生成素（13）能够降低ICAM-1和VCAM-1的水平。

  DOI：

  10.1055/s-2001-11514

文献信息

• USE OF HYDROPHOBIN AS A SPREADING AGENT
  申请人：Barg Heiko

  公开号：US20110312497A1

  公开（公告）日：2011-12-22

  The present invention relates to the use of hydrophobin as a spreading agent, in particular in cosmetic or pharmaceutical compositions. The invention further relates to compositions for treating surfaces, in particular cosmetic or pharmaceutical compositions for topical use, that contain hydrophobin as a spreading agent.

  本发明涉及在化妆品或药物组合物中使用亲水素作为扩散剂。本发明还涉及含有亲水素作为扩散剂的用于处理表面的组合物，特别是用于局部使用的化妆品或药物组合物。
• TRITERPENE DERIVATIVE AND MEDICINAL COMPOSITION
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0767177A1

  公开（公告）日：1997-04-09

  The invention is composed of a hederagenin derivative of the following formula or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising of this compound as an active ingredient. (wherein R1 represents OR11 or NR11R12. R11 and R12 may be the same or different and each represents hydrogen, alkyl that may be substituted, cycloalkyl that may be substituted, alkenyl that may be substituted, alkinyl that may be substituted, aryl that may be substituted, or a heteroaromatic group that may be substituted,    R2 and R3 may be the same or different and each represents hydrogen, alkyl that may be substituted, cycloalkyl that may be substituted, alkenyl that may be substituted, alkinyl that may be substituted, acyl that may be subsituted, monoalkylcarbamoyl that may be substituted, dialkylcarbamoyl that may be substituted, or alkoxycarbonyl that may be substituted, or R2 and R3 taken together represents carbonyl.) The pharmaceutical composition of the invention is effective for the therapy of nephritis.

  本发明由下式的一种赤霉烯酮衍生物或其药学上可接受的盐，以及由该化合物作为活性成分的药物组合物组成。 (其中 R1 代表 OR11 或 NR11R12。R11和R12可以相同或不同，各自代表氢、可被取代的烷基、可被取代的环烷基、可被取代的烯基、可被取代的炔基、可被取代的芳基或可被取代的杂芳基、 R2和R3可以相同或不同，各自代表氢、可被取代的烷基、可被取代的环烷基、可被取代的烯基、可被取代的烷基、可被取代的酰基、可被取代的单烷基氨基甲酰基、可被取代的二烷基氨基甲酰基或可被取代的烷氧羰基，或R2和R3共同代表羰基）。 本发明的药物组合物对治疗肾炎有效。
• Process of extracting and purifying biologically effective ingredients from combined medicinal plants and their extract composition
  申请人：SUNKYONG INDUSTRIES LTD.

  公开号：EP0832652A1

  公开（公告）日：1998-04-01

  This invention to a process of extracting and purifying biologically effective ingredients from combined medicinal plants and their plant extract composition and more particularly, to a process for effective extracting and purifying the biologically effective ingredients by mixing Clematis Radix, Trichosanthes root and Prunella Herba in a certain ratio, being useful for alleviating acute/chronic inflammation and also for inhibiting platelet/whole blood aggregation, abnormally proliferated immunocytes (e.g., B-lymphocyte, T-lymphocyte), inflammation-inducing enzymes (5-Lipoxygenase, Cyclooxygenase-I, Cyclooxygenase-II) and also scavenging activity on toxic active oxygen species when compared to a single plant extracts, toghter with their extract composition, which may be effectively used as an anti-inflammatory agent with analgesic effects, rheumatoid arthritis drug and agents for improving peripheral blood circulation.

  本发明涉及一种从组合药用植物及其植物提取物组合物中提取和纯化生物有效成分的工艺，更具体地说，涉及一种通过将铁线莲、三七根和刺五加按一定比例混合，有效提取和纯化生物有效成分的工艺，该工艺可用于缓解急性/慢性炎症，还可用于抑制血小板/全血聚集、异常增殖的免疫细胞（如B淋巴细胞、T淋巴细胞）、炎症诱导酶（5-脂氧合酶、环氧化酶-I、环氧化酶-II）、与单一植物提取物相比，它们的提取物成分还具有清除有毒活性氧的活性，可有效用作具有镇痛作用的抗炎剂、类风湿性关节炎药物和改善外周血液循环的药物。
• Pharmaceutical unit dosage form comprising 4-phenylbutyric acid
  申请人：Lunamed AG

  公开号：EP2698155A1

  公开（公告）日：2014-02-19

  The invention provides a pharmaceutical unit dosage form comprising 4-phenylbutyric acid (4-PB) as a free acid or as a salt; as a prodrug, a codrug, a co-crystal or any salt or hydrate or solvate thereof. The invention further provides the use of said pharmaceutical dosage form for the prevention or treatment of cancer and methods for preparing said pharmaceutical dosage form.

  本发明提供了一种包含 4-苯基丁酸（4-PB）的药物单位剂型，4-苯基丁酸（4-PB）可以是游离酸或盐；也可以是原药、复方药、共晶体或其任何盐或水合物或溶液。本发明进一步提供了所述药物剂型用于预防或治疗癌症的用途以及制备所述药物剂型的方法。
• Phenylbutyric acid for chemoprevention
  申请人：Lunamed AG

  公开号：EP2698156A1

  公开（公告）日：2014-02-19

  The invention provides a pharmaceutical composition comprising phenylbutyric acid, a derivative, a prodrug, solvate or a physiologically acceptable salt thereof for use in the prevention of cancer. Furthermore pharmaceutical compositions are disclosed which comprise a further chemopreventive agent.

  本发明提供了一种包含苯丁酸、其衍生物、原药、溶液或生理上可接受的盐的药物组合物，用于预防癌症。此外，本发明还公开了包含另一种化学预防剂的药物组合物。