7α-hydroxycholestanone | 20978-24-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 7α-hydroxycholestanone
• 英文别名: 3-keto-7α-hydroxycholestane；7α-hydroxycholestan-3-one；7a-Hydroxy-5a-cholestan-3-one；(5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• CAS: 20978-24-9
• 化学式: C₂₇H₄₆O₂
• 分子量: 402.661
• InChiKey: HWOOALPDOJHOPO-SIGBXAICSA-N

物化性质

• 熔点：
  115 °C
• 沸点：
  501.3±33.0 °C(Predicted)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 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：

  7α-hydroxycholestanone 、 对甲苯磺酰肼 在 盐酸 作用下， 以 甲醇 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Synthesis and antifungal activity of cholesterol-hydrazone derivatives

  摘要：

  A series of hydrazones synthesized from various cholesterol derivatives were evaluated for their in vitro antimicrobial properties against human pathogens. The activity was highly dependent on the structure of the different compounds involved. The best results have been obtained with tosylhydrazone cholesterol derivatives 8 and 9 exhibiting activities against Candida albicans (CIP 1663-80) at a concentration of 1.5 mug/ml. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.07.005
• 作为产物：
  描述：

  胆固醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 N-hydroxyphthalamide 、 氧气 、 L-Selectride 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 乙酸乙酯 、 丙酮 为溶剂， 反应 77.0h， 生成 7α-hydroxycholestanone
  参考文献：
  名称：

  Synthesis and antifungal activity of oxygenated cholesterol derivatives

  摘要：

  A series of oxygenated cholesterol derivatives were prepared from new synthetic methods and evaluated for their in vitro antimicrobial properties against human pathogens. The activity was highly dependent on the structure of the different compounds involved. The best results were obtained with hydroxy ketones 2, 4 and 5 and diketone 7 exhibiting activities against S. cerevisiae (ATCC 28383) and Candida albicans (CIP 1663-86). For example, compound 2 exhibited high activities against C. albicans (CIP 1663-86) and Amphotericine B and miconazole resistant strain C. albicans (CIP 1180-79) at a concentration of 1.5 mu g/mL. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2005.06.007

文献信息

• Compounds that are Analogs of Squalamine, Used as Antibacterial Agents
  申请人：VIRBAC

  公开号：US20180042942A1

  公开（公告）日：2018-02-15

  The invention relates to compounds of formula (I), to the pharmaceutical compositions comprising same, and to the use thereof in the treatment of bacterial, fungal, viral and parasitic infections or in the treatment of cancer in humans or animals. In formula (I), R1 and R2 are as defined in claim 1.

  这项发明涉及公式（I）的化合物，包括相同的药物组成，以及在人类或动物中用于治疗细菌、真菌、病毒和寄生虫感染或治疗癌症的用途。在公式（I）中，R1和R2如权利要求1中定义的那样。