4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl butyrate | 1361320-39-9

• 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: 4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl butyrate
• 英文别名: [4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenyl] butanoate
• CAS: 1361320-39-9
• 化学式: C₂₂H₃₀O₂
• 分子量: 326.479
• InChiKey: AUPFDLBOQGWFJU-XEPMYJLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  补骨脂酚 、 丁酰氯 在 4-二甲氨基吡啶 作用下， 以97%的产率得到4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl butyrate
  参考文献：
  名称：

  Bakuchiol derivatives as novel and potent cytotoxic agents: A report

  摘要：

  A library of 28 compounds comprising of acyl, amino, halo, nitro, styryl and cyclized derivatives of bakuchiol have been evaluated against a panel of eight human cancer cell lines. Bioevaluation studies have resulted in the identification of potent cytotoxic molecules exhibiting concentration dependent growth inhibition against leukemia cancer cells with best results observed for compounds 17 and 22 exhibiting IC50 1.8 and 2.0 mu M respectively. As evident from various biological end-points, inhibition of cell proliferation by inducing G2/M cell cycle arrest, mitochondrial membrane disruption followed by DNA fragmentation and apoptosis is demonstrated. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.12.018

文献信息

• Bakuchiol derivatives as novel and potent cytotoxic agents: A report
  作者：Rabiya Majeed、Mallepally V. Reddy、Praveen K. Chinthakindi、Payare L. Sangwan、Abid Hamid、Gousia Chashoo、Ajit K. Saxena、Surrinder Koul

  DOI：10.1016/j.ejmech.2011.12.018

  日期：2012.3

  A library of 28 compounds comprising of acyl, amino, halo, nitro, styryl and cyclized derivatives of bakuchiol have been evaluated against a panel of eight human cancer cell lines. Bioevaluation studies have resulted in the identification of potent cytotoxic molecules exhibiting concentration dependent growth inhibition against leukemia cancer cells with best results observed for compounds 17 and 22 exhibiting IC50 1.8 and 2.0 mu M respectively. As evident from various biological end-points, inhibition of cell proliferation by inducing G2/M cell cycle arrest, mitochondrial membrane disruption followed by DNA fragmentation and apoptosis is demonstrated. (C) 2011 Elsevier Masson SAS. All rights reserved.