3,4-secoolean-4(23),12-diene-3,28-dioic acid

• 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: 3,4-secoolean-4(23),12-diene-3,28-dioic acid
• 化学式: C₃₀H₄₆O₄
• 分子量: 470.693
• InChiKey: CHAUGFIBHGUKLY-NKQKOJDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.49
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  74.6
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  齐墩果酸 在 sodium azide 、 jones reagent 、 硫酸 、 3,4,5,6-四氟邻苯二甲酸 作用下， 以 溶剂黄146 为溶剂， 生成 3,4-secoolean-4(23),12-diene-3,28-dioic acid
  参考文献：
  名称：

  Novel A-ring cleaved analogs of oleanolic and ursolic acids which affect growth regulation in NRP.152 prostate cells

  摘要：

  Syntheses of eight novel A-ring cleaved oleanane and ursane analogs an described. These compounds were assessed for their ability to inhibit cell proliferation in NRP.152 prostate cells. Four A-ring cleaved derivatives showed significant activity; 5 beta-(1-methyl-2-ethyl)-10 alpha-(3-aminopropyl)-des-A-urs-12-en-28-oic acid was the most active compound, (IC50, 0.3 mu M). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00310-7

文献信息

• Novel A-ring cleaved analogs of oleanolic and ursolic acids which affect growth regulation in NRP.152 prostate cells
  作者：Heather J. Finlay、Tadashi Honda、Gordon W. Gribble、David Danielpour、Nicole E. Benoit、Nanjoo Suh、Charlotte Williams、Michael B. Sporn

  DOI：10.1016/s0960-894x(97)00310-7

  日期：1997.7

  Syntheses of eight novel A-ring cleaved oleanane and ursane analogs an described. These compounds were assessed for their ability to inhibit cell proliferation in NRP.152 prostate cells. Four A-ring cleaved derivatives showed significant activity; 5 beta-(1-methyl-2-ethyl)-10 alpha-(3-aminopropyl)-des-A-urs-12-en-28-oic acid was the most active compound, (IC50, 0.3 mu M). (C) 1997 Elsevier Science Ltd.