3-O-α-formyl-β-boswellic acid | 5798-65-2

• 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-α-formyl-β-boswellic acid
• 英文别名: 3α-formyloxy-ursen-(12)-oic acid-(24)；3α-Formyloxy-ursen-(12)-saeure-(24)；(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-formyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
• CAS: 5798-65-2
• 化学式: C₃₁H₄₈O₄
• 分子量: 484.72
• InChiKey: SRRGFQZTOMDTLP-WFKJPOIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-乙酰基-BETA-乳香酸 在 氢氧化钾 、 苯 作用下， 生成 3-O-α-formyl-β-boswellic acid
  参考文献：
  名称：

  Winterstein; Stein, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1932, vol. 208, p. 10

  摘要：

  DOI：

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.
• Winterstein; Stein, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1932, vol. 208, p. 10
  作者：Winterstein、Stein

  DOI：——

  日期：——