tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(2-phenylethyl)carbamate | 131275-70-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(2-phenylethyl)carbamate
• CAS: 131275-70-2
• 化学式: C₂₁H₃₄N₂O₄
• 分子量: 378.512
• InChiKey: VEPLKJKLVWWHFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.38
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  67.87
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,7-二溴庚烷 、 tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(2-phenylethyl)carbamate 在 sodium hydride 、 sodium iodide 作用下， 生成 (7-{tert-Butoxycarbonyl-[3-(tert-butoxycarbonyl-phenethyl-amino)-propyl]-amino}-heptyl)-[3-(tert-butoxycarbonyl-phenethyl-amino)-propyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Antimalarial polyamine analogs

  摘要：

  A series of novel tetraamines of the general formula RNH(CH2)(x)NH(CH2)(y)(NH(CH2)(x)NHR was synthesized and examined for activity against growth of Plasmodium falciparum in vitro. Within the series, dibenzyl analogues (R = benzyl) were found to be the most effective growth inhibitors, with IC50 values of about 10-6 M. Further modifications of the tetraamine provided the optimum chain length for antimalarial activity of y = 7, x = 3. Compound 8 (MDL 27,695) with the structure y = 7, x = 3, R = benzyl, in combination with the ornithine decarboxylase inhibitor alpha-(difluoromethyl)ornithine, resulted in radical cures when tested against experimental Plasmodium berghei infections in mice. The structure-activity relationships of the series are discussed.

  DOI：

  10.1021/jm00106a015
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 N-(2-phenylethyl)-1,3-propanediamine 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(2-phenylethyl)carbamate
  参考文献：
  名称：

  Antimalarial polyamine analogs

  摘要：

  A series of novel tetraamines of the general formula RNH(CH2)(x)NH(CH2)(y)(NH(CH2)(x)NHR was synthesized and examined for activity against growth of Plasmodium falciparum in vitro. Within the series, dibenzyl analogues (R = benzyl) were found to be the most effective growth inhibitors, with IC50 values of about 10-6 M. Further modifications of the tetraamine provided the optimum chain length for antimalarial activity of y = 7, x = 3. Compound 8 (MDL 27,695) with the structure y = 7, x = 3, R = benzyl, in combination with the ornithine decarboxylase inhibitor alpha-(difluoromethyl)ornithine, resulted in radical cures when tested against experimental Plasmodium berghei infections in mice. The structure-activity relationships of the series are discussed.

  DOI：

  10.1021/jm00106a015

文献信息

• EDWARDS, M. L.;STEMERICK, D. M.;BITONTI, A. J.;DUMONT, J. A.;MCCANN, P. P+, J. MED. CHEM., 34,(1991) N, C. 569-574
  作者：EDWARDS, M. L.、STEMERICK, D. M.、BITONTI, A. J.、DUMONT, J. A.、MCCANN, P. P+

  DOI：——

  日期：——