3-α-hydroxy-4-β-amino-11-oxo-24-norurs-12-ene | 1000000-70-3

• 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: 3-α-hydroxy-4-β-amino-11-oxo-24-norurs-12-ene
• 英文别名: (1S,2R,4aR,6aR,6aS,6bR,8aR,9R,10R,12aS,14bR)-9-amino-10-hydroxy-1,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen-13-one
• CAS: 1000000-70-3
• 化学式: C₂₉H₄₇NO₂
• 分子量: 441.698
• InChiKey: YEHBXJGWJYOQBT-SCAZYLHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-α-hydroxy-4-β-amino-11-oxo-24-norurs-12-ene 、 乙酸酐 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到N-acetyl-3-α-acetoxy-4-amino-11-oxo-24-norurs-12-ene
  参考文献：
  名称：

  Cytotoxic and apoptotic activities of novel amino analogues of boswellic acids

  摘要：

  4-Amino analogues prepared from beta-boswellic acid and 11-keto-beta-boswellic acid, wherein the carboxyl group in ursane nucleus was replaced by an amino function via Curtius reaction, displayed improved cytotoxicity than the parent molecules. The same molecules also exhibited apoptotic activity by inducing DNA fragmentation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.011
• 作为产物：
  描述：

  3α-acetoxy-4β-isocyanato-11-oxo-24-norurs-12-ene 在 氢氧化钾 作用下， 以 1,4-二氧六环 为溶剂， 以87%的产率得到3-α-hydroxy-4-β-amino-11-oxo-24-norurs-12-ene
  参考文献：
  名称：

  Cytotoxic and apoptotic activities of novel amino analogues of boswellic acids

  摘要：

  4-Amino analogues prepared from beta-boswellic acid and 11-keto-beta-boswellic acid, wherein the carboxyl group in ursane nucleus was replaced by an amino function via Curtius reaction, displayed improved cytotoxicity than the parent molecules. The same molecules also exhibited apoptotic activity by inducing DNA fragmentation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.011

文献信息

• Cytotoxic and apoptotic activities of novel amino analogues of boswellic acids
  作者：Bhahwal A. Shah、Ajay Kumar、Pankaj Gupta、Madhunika Sharma、Vijay K. Sethi、Ajit K. Saxena、Jaswant Singh、Ghulam N. Qazi、Subhash C. Taneja

  DOI：10.1016/j.bmcl.2007.10.011

  日期：2007.12

  4-Amino analogues prepared from beta-boswellic acid and 11-keto-beta-boswellic acid, wherein the carboxyl group in ursane nucleus was replaced by an amino function via Curtius reaction, displayed improved cytotoxicity than the parent molecules. The same molecules also exhibited apoptotic activity by inducing DNA fragmentation. (c) 2007 Elsevier Ltd. All rights reserved.