(2-tert-butoxycarbonylamino-ethyl)-(6-oxo-hexyl)-carbamic acid tert-butyl ester | 944148-68-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2-tert-butoxycarbonylamino-ethyl)-(6-oxo-hexyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-(6-oxohexyl)carbamate
• CAS: 944148-68-9
• 化学式: C₁₈H₃₄N₂O₅
• 分子量: 358.478
• InChiKey: XFVZPHJSTKOSOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2-tert-butoxycarbonylamino-ethyl)-(6-oxo-hexyl)-carbamic acid tert-butyl ester 、 2-amino-3,3'-propane-1,3-dioxybis(1,10-phenanthroline) 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以65%的产率得到(2-tert-butyloxycarbonylamino-ethyl)-{6-[1-(1,10-phenanthrolin-3-yloxy)-3-(1,10-phenanthrolin-8-yloxy)propan-2-amine]-hexyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  New Approach for the Preparation of Efficient DNA Cleaving Agents:  Ditopic Copper−Platinum Complexes Based on 3-Clip-Phen and Cisplatin

  摘要：

  The design and synthesis of new heterodinuclear DNA-targeting agents are described. The abilities of cisplatin and Cu(3-Clip-Phen) [Cu(1-(1,10-phenanthrolin-3-yloxy)-3-(1,10-phenanthrolin-8-yloxy)propan-2-amine)Cl-2], an artificial DNA-cleaving agent, have been combined through their "covalent coupling". This strategy has led to bifunctional complexes that are able to cleave the DNA in a double-stranded fashion in contrast to Cu(3-Clip-Phen) alone and have promising cytotoxicities compared to cisplatin in several cell lines.

  DOI：

  10.1021/jm0614331
• 作为产物：
  描述：

  6-(2-amino-ethylamino)-hexan-1-ol 在 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 (2-tert-butoxycarbonylamino-ethyl)-(6-oxo-hexyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  New Approach for the Preparation of Efficient DNA Cleaving Agents:  Ditopic Copper−Platinum Complexes Based on 3-Clip-Phen and Cisplatin

  摘要：

  The design and synthesis of new heterodinuclear DNA-targeting agents are described. The abilities of cisplatin and Cu(3-Clip-Phen) [Cu(1-(1,10-phenanthrolin-3-yloxy)-3-(1,10-phenanthrolin-8-yloxy)propan-2-amine)Cl-2], an artificial DNA-cleaving agent, have been combined through their "covalent coupling". This strategy has led to bifunctional complexes that are able to cleave the DNA in a double-stranded fashion in contrast to Cu(3-Clip-Phen) alone and have promising cytotoxicities compared to cisplatin in several cell lines.

  DOI：

  10.1021/jm0614331