[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-azido-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | 243446-92-6

• 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: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-azido-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 243446-92-6
• 化学式: C₂₉H₄₇N₃O₂
• 分子量: 469.711
• InChiKey: ANDQTIAPHMNTFJ-HSIBUNQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  40.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-azido-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 25-aminocholest-5-en-3β-ol
  参考文献：
  名称：

  Synthesis of 25-aminosterols, new antifungal agents

  摘要：

  25-aminolanostenol 1 and 25-aminocholesterol 2 were hemisynthesized from natural sterols and tested in vitro against Candida albicans. The biological activity of compound 1 was rather weak, whereas 2 exhibited in vitro antifungal activity With MIC value of 4 mu M. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00233-4
• 作为产物：
  描述：

  demosterol acetate 在 sodium hydroxide 、 sodium tetrahydroborate 、 叠氮基三甲基硅烷 、 mercury(II) diacetate 、 三溴化磷 、 四氯化锡 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 96.0h， 生成 [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-azido-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  参考文献：
  名称：

  Synthesis of 25-aminosterols, new antifungal agents

  摘要：

  25-aminolanostenol 1 and 25-aminocholesterol 2 were hemisynthesized from natural sterols and tested in vitro against Candida albicans. The biological activity of compound 1 was rather weak, whereas 2 exhibited in vitro antifungal activity With MIC value of 4 mu M. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00233-4

文献信息

• Synthesis of 25-aminosterols, new antifungal agents
  作者：P. Beuchet、M. Dherbomez、L. Elkiel、G. Charles、Y. Letourneux

  DOI：10.1016/s0960-894x(99)00233-4

  日期：1999.6

  25-aminolanostenol 1 and 25-aminocholesterol 2 were hemisynthesized from natural sterols and tested in vitro against Candida albicans. The biological activity of compound 1 was rather weak, whereas 2 exhibited in vitro antifungal activity With MIC value of 4 mu M. (C) 1999 Elsevier Science Ltd. All rights reserved.