3-O-β-hemisuccinyl-11-keto-β-boswellic acid | 1355044-77-7

• 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-O-β-hemisuccinyl-11-keto-β-boswellic acid
• 英文别名: 3-O-β-succinyl-11-keto-β-boswellic acid；(3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(3-carboxypropanoyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
• CAS: 1355044-77-7
• 化学式: C₃₄H₅₀O₇
• 分子量: 570.767
• InChiKey: KCFFHMNOZFHVOS-QNDMQPHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 3,11-dioxours-12-en-24-oate 在 吡啶 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 3-O-β-hemisuccinyl-11-keto-β-boswellic acid
  参考文献：
  名称：

  Acyl derivatives of boswellic acids as inhibitors of NF-κB and STATs

  摘要：

  Boswellic acid acylates including their epimers were synthesized and screened against a panel of human cancer cell lines. They exhibited a range of cytotoxicity against various human cancer cell lines thereby leading to the development of a possible SAR. One of the identified lead compounds was found to be an inhibitor of the NF-kappa B and STAT proteins, warranting further investigations to be developed into a potential anticancer lead. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.112

文献信息

• Acyl derivatives of boswellic acids as inhibitors of NF-κB and STATs
  作者：Ajay Kumar、Bhahwal A. Shah、Samar Singh、Abid Hamid、Shashank K. Singh、Vijay K. Sethi、Ajit K. Saxena、Jaswant Singh、Subhash C. Taneja

  DOI：10.1016/j.bmcl.2011.10.112

  日期：2012.1

  Boswellic acid acylates including their epimers were synthesized and screened against a panel of human cancer cell lines. They exhibited a range of cytotoxicity against various human cancer cell lines thereby leading to the development of a possible SAR. One of the identified lead compounds was found to be an inhibitor of the NF-kappa B and STAT proteins, warranting further investigations to be developed into a potential anticancer lead. (C) 2011 Elsevier Ltd. All rights reserved.