28-norlup-20(29)-ene-17β-isocyanate 3-oxime | 628308-28-1

• 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: 28-norlup-20(29)-ene-17β-isocyanate 3-oxime
• CAS: 628308-28-1
• 化学式: C₃₀H₄₆N₂O₂
• 分子量: 466.707
• InChiKey: ZOFCWTBPQPJBQR-DCZMCBCASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.56
• 重原子数：
  34.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  62.02
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (2S)-2-氨基-4-甲硫基丁酸甲酯 、 28-norlup-20(29)-ene-17β-isocyanate 3-oxime 生成
  参考文献：
  名称：

  Lupane triterpenes and derivatives with antiviral activity

  摘要：

  Betulin and betulinic acid have been modified at the C-3 and C-28 positions and the antiviral activity of derivatives has been evaluated in vitro. It was found that simple modifications of the parent structure of lupane triterpenes produced highly effective agents against influenza A and herpes simplex type 1 viruses. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00714-5
• 作为产物：
  描述：

  betulonic acid chloride 3-oxime 在 sodium azide 作用下， 以 丙酮 为溶剂， 反应 6.0h， 生成 28-norlup-20(29)-ene-17β-isocyanate 3-oxime
  参考文献：
  名称：

  Lupane triterpenes and derivatives with antiviral activity

  摘要：

  Betulin and betulinic acid have been modified at the C-3 and C-28 positions and the antiviral activity of derivatives has been evaluated in vitro. It was found that simple modifications of the parent structure of lupane triterpenes produced highly effective agents against influenza A and herpes simplex type 1 viruses. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00714-5

文献信息

• Synthesis and Antiviral Activity of Ureides and Carbamates of Betulinic Acid and Its Derivatives
  作者：O. B. Flekhter、E. I. Boreko、L. R. Nigmatullina、E. V. Tret'yakova、N. I. Pavlova、L. A. Baltina、S. N. Nikolaeva、O. V. Savinova、F. Z. Galin、G. A. Tolstikov

  DOI：10.1023/b:rubi.0000008902.36604.97

  日期：2003.11

  Ureides and carbamates of betulinic acid and its derivatives were prepared in good yields by interaction of betulinic acid, betulonic acid, and betulonic acid 3-oxime with amines, amino acids, and alcohols. Ureides of betulonic acid containing L-Val and L-Met residues were found to be effective against herpes simplex type 1 virus.