28-hydroxylup-20(29)-en-3β-yl acetate | 27570-20-3

• 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: 28-hydroxylup-20(29)-en-3β-yl acetate
• 英文别名: Betulin-acetat；[(1R,3aS,5aR,5bR,9S,11aR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
• CAS: 27570-20-3
• 化学式: C₃₂H₅₂O₃
• 分子量: 484.763
• InChiKey: XUDTWJGGQFHXCR-NITJUIGFSA-N

物化性质

• 溶解度：
  二甲基甲酰胺：5mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  betulin diacetate 在 potassium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 17.0h， 生成 28-hydroxylup-20(29)-en-3β-yl acetate
  参考文献：
  名称：

  [EN] TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS
  [FR] DÉRIVÉS DE TRITERPÉNOÏDE AGENTS ANTIPROLIFÉRATION

  摘要：

  公式(I)和(II)。本发明涉及使用一种新的通用公式(I)或(II)的鲁班衍生物，或其药学上可接受的盐、晶型、复合物、水合物或可水解酯，用于预防和/或抑制肿瘤生长，并用于治疗癌症和其他增生性疾病，更具体地用于治疗白血病、肝脏、宫颈、结肠和前列腺癌。本发明还涉及这些化合物的合成以及含有它们的药物组合物。

  公开号：

  WO2010134830A1

文献信息

• BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS
  申请人：Yli-Kauhaluoma Jari

  公开号：US20100190795A1

  公开（公告）日：2010-07-29

  The invention relates to betulin derivatives, and to the use thereof as agents against protozoa of the genus Leishmania and against leishmaniasis in applications of pharmaceutical industry.

  该发明涉及到白桦酸衍生物，并将其用作制药工业中针对副单胞菌属Leishmania及利什曼病的药剂。
• COMPOSITIONS COMPRISING BETULONIC ACID
  申请人：Yli-Kauhaluoma Jari

  公开号：US20100196290A1

  公开（公告）日：2010-08-05

  The invention relates to compositions of cosmetic and pharmaceutical industries comprising betulonic acid for humans and animals, and further, to the use of betulonic acid in compositions of cosmetic and pharmaceutical industries. The invention is also directed to compositions containing, besides betulonic acid, optionally other compounds derived from betulin.

  本发明涉及用于人类和动物的美容和医药行业的化妆品组合物和药物组合物，其中包括白桦酸，并且还涉及在化妆品和医药行业的组合物中使用白桦酸。本发明还涉及含有白桦酸以及可选的其他从白桦素衍生的化合物的组合物。
• Extended Triterpene Derivatives
  申请人：Nitz Theodore J.

  公开号：US20120046291A1

  公开（公告）日：2012-02-23

  The present invention concerns novel pharmaceutically active triterpene derivatives, pharmaceutical compositions containing the same, their use as medicaments, and the use of the compounds for the manufacture of specific medicaments. The present invention also concerns a method of treatment involving administration of the compounds. Specifically, the compounds are derivatives of betulinic acid having substitutions at one or more of the C-3, C2-8 and C-19 positions as further described herein. The novel compounds are useful as antiretroviral agents. In particular, the novel compounds are useful for the treatment of Human Immunodeficiency Virus (HIV).

  本发明涉及一种新型药用三萜衍生物，包含其药物组合物、其作为药物的用途以及用于制造特定药物的化合物的用途。本发明还涉及一种涉及化合物给药的治疗方法。具体来说，这些化合物是苦杏仁酸衍生物，在C-3、C2-8和C-19位置之一或多个处具有取代基，如本文所述。这些新型化合物可用作抗逆转录病毒剂。特别地，这些新型化合物可用于治疗人类免疫缺陷病毒（HIV）。
• BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS
  申请人：Yli-Kauhaluoma Jari

  公开号：US20100273801A1

  公开（公告）日：2010-10-28

  The invention relates to compouns derived from betulin, and to the use thereof as antibacterial agents in pharmaceutical and cosmetic applications.

  本发明涉及从白桦酸衍生的化合物，并将其用作医药和化妆品应用中的抗菌剂。
• BIDESMOSIDIC BETULIN AND BETULINIC ACID DERIVATIVES AND USES THEREOF AS ANTITUMOR AGENTS
  申请人：Pichette André

  公开号：US20110224159A1

  公开（公告）日：2011-09-15

  The instant application is directed to bidesmosidic betulin and betulinic acid saponin derivatives of formula (I), and use thereof as antitumor agents. In particular, said compounds are effective in treating lung carcinomas, colorectal adenocarcinomas, breast adenocarcinomas, and prostate adenocarcinomas. Methods of synthesizing said compounds through selective glycosylation of the C-28 and C-3 position, and diagnostic methods for identifying tumours suitable for treatment by said compounds are also disclosed.