tert-butyl 4-(4-((4-aminobutyl)(tert-butoxycarbonyl)amino)butyl)piperazine-1-carboxylate | 950684-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(4-((4-aminobutyl)(tert-butoxycarbonyl)amino)butyl)piperazine-1-carboxylate
• CAS: 950684-34-1
• 化学式: C₂₂H₄₄N₄O₄
• 分子量: 428.616
• InChiKey: UYDKHIJDPOIHLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  88.34
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-((4-aminobutyl)(tert-butoxycarbonyl)amino)butyl)piperazine-1-carboxylate 在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and bioevaluation of N-(arylalkyl)-homospermidine conjugates

  摘要：

  N'-(Arylalkyl)homospermidines (Ic-1f) and terminally piperazine-substituted homospermidine conjugates (2a-2e) were synthesized and evaluated for cytotoxicity in mouse leukemia L 1210, alpha-difluorometliylornithine (DFMO)-treated L 12 10, melanoma B 16, spermidine (SPD)-treated B 16, and HeLa cell lines. Results demonstrated that homospermidine was a more effective vector than piperazine-substituted homospermidine in ferrying diverse arenes into cells via the polyamine transporter. The leading compound, 9-anthracenemethyl-homospermidine (1a), was shown to induce apoptosis in B16 cells and IL-3 dependent FL5.12A proB cells. The novel conjugate 4-biphenylmethyl-homospermidine (1e) could also induce apoptosis. However, it exhibited different effect on the cell cycle of B16 cells compared to la. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.009
• 作为产物：
  描述：

  tert-butyl 4-(4-((tert-butoxycarbonyl)(4-(1,3-dioxoisoindolin-2-yl)butyl)amino)butyl)piperazine-1-carboxylate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 tert-butyl 4-(4-((4-aminobutyl)(tert-butoxycarbonyl)amino)butyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Synthesis and bioevaluation of N-(arylalkyl)-homospermidine conjugates

  摘要：

  N'-(Arylalkyl)homospermidines (Ic-1f) and terminally piperazine-substituted homospermidine conjugates (2a-2e) were synthesized and evaluated for cytotoxicity in mouse leukemia L 1210, alpha-difluorometliylornithine (DFMO)-treated L 12 10, melanoma B 16, spermidine (SPD)-treated B 16, and HeLa cell lines. Results demonstrated that homospermidine was a more effective vector than piperazine-substituted homospermidine in ferrying diverse arenes into cells via the polyamine transporter. The leading compound, 9-anthracenemethyl-homospermidine (1a), was shown to induce apoptosis in B16 cells and IL-3 dependent FL5.12A proB cells. The novel conjugate 4-biphenylmethyl-homospermidine (1e) could also induce apoptosis. However, it exhibited different effect on the cell cycle of B16 cells compared to la. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.009