N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]butan-1-amine | 1138708-45-8

• 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: N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]butan-1-amine
• CAS: 1138708-45-8
• 化学式: C₁₉H₃₃N
• 分子量: 275.478
• InChiKey: RMVCJTAHTMLIST-CEXWTWQISA-N

物化性质

• 沸点：
  352.1±11.0 °C(predicted)
• 密度：
  0.883±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  β-榄香烯 、 正丁胺 在 sodium hypochlorite 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]butan-1-amine
  参考文献：
  名称：

  Synthesis and in vitro anti-proliferative activity of β-elemene monosubstituted derivatives in HeLa cells mediated through arrest of cell cycle at the G1 phase

  摘要：

  beta-Elemene monosubstituted amine, ether and rhenium coordinated complex were synthesized. Their structures were characterized by IR, H-1 NMR, C-13 NMR, HRMS or EA. Their IC50 on HeLa cell lines, cell cycle and protein expression of G(1) phase (Cyclin D-1, Rb, P-Rb) were detected respectively by the method of WST-1, Flow Cytometry and Western Blot. The Results showed that the in vitro anti-proliferative activity of beta-elemene monosubstituted amine and Re(CO)(3)-beta-elemene derivatives in human cervix epitheloid carcinoma HeLa cells were improved significantly compared with both of ether derivatives and parent beta-belemene. These derivatives could reduce Rb phosphorylation and cyclin D1 protein expression to arrest the cell cycle at G1 phase. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.040

文献信息

• Synthesis and in vitro anti-proliferative activity of β-elemene monosubstituted derivatives in HeLa cells mediated through arrest of cell cycle at the G1 phase
  作者：Yanhong Sun、Guifeng Liu、Yuangqing Zhang、Hua Zhu、Yunfeng Ren、Yu-Mei Shen

  DOI：10.1016/j.bmc.2008.12.040

  日期：2009.2

  beta-Elemene monosubstituted amine, ether and rhenium coordinated complex were synthesized. Their structures were characterized by IR, H-1 NMR, C-13 NMR, HRMS or EA. Their IC50 on HeLa cell lines, cell cycle and protein expression of G(1) phase (Cyclin D-1, Rb, P-Rb) were detected respectively by the method of WST-1, Flow Cytometry and Western Blot. The Results showed that the in vitro anti-proliferative activity of beta-elemene monosubstituted amine and Re(CO)(3)-beta-elemene derivatives in human cervix epitheloid carcinoma HeLa cells were improved significantly compared with both of ether derivatives and parent beta-belemene. These derivatives could reduce Rb phosphorylation and cyclin D1 protein expression to arrest the cell cycle at G1 phase. (C) 2008 Elsevier Ltd. All rights reserved.