1,4,7,10,13-pentaoxa-16-(di-N-aziridinylthiophosphoryl)azacyclooctadecane | 101347-47-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: 1,4,7,10,13-pentaoxa-16-(di-N-aziridinylthiophosphoryl)azacyclooctadecane
• 英文别名: Bis(aziridin-1-yl)-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-sulfanylidene-lambda5-phosphane；bis(aziridin-1-yl)-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-sulfanylidene-λ5-phosphane
• CAS: 101347-47-1
• 化学式: C₁₆H₃₂N₃O₅PS
• 分子量: 409.487
• InChiKey: LBJNMFFKHFJFNV-UHFFFAOYSA-N

物化性质

• 沸点：
  544.1±60.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  87.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,4,7,10,13-pentaoxa-16-(di-N-aziridinylthiophosphoryl)azacyclooctadecane 、 四苯硼钠 、 水 以69%的产率得到
  参考文献：
  名称：

  SOSNOVSKY G.; LUKSZO J.; RAO N. U. M., J. MED. CHEM., 29,(1986) N 7, 1250-1256

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烯亚胺 、 氮杂-18-冠醚-6 在 三乙胺 、 三氯氧磷 作用下， 生成 1,4,7,10,13-pentaoxa-16-(di-N-aziridinylthiophosphoryl)azacyclooctadecane
  参考文献：
  名称：

  In the search for new anticancer drugs. 17. Linear and cyclic polyether analogs of N,N:N',N':N",N"-tri-1,2-ethanediylphosphoric triamide and N,N:N',N':N",N"-tri-1,2-ethanediylphosphorothioic triamide

  摘要：

  Linear and cyclic polyether derivatives of N,N:N',N':N'',N''-tri-1, 2-ethanediylphosphoric triamide (TEPA) and N,N:N',N':N'',N''-tri-1,2-ethanediylphosphorothioic triamide (thio-TEPA) are synthesized and evaluated for their antineoplastic activity against the murine lymphocytic leukemia P388. All compounds, except for 7d, were active ranging from 42% to 287% increase in life span (% ILS). All CD2F1 male mice treated with the most active compound (7a) at 90 mg/kg per day for 9 days were alive after 30 days, whereas all mice treated with the clinical drug thio-TEPA were dead. The % ILS for compound 7a on day 60 was 525. A correlation is presented between the structural features of compounds and their lipophilicities and antineoplastic activities.

  DOI：

  10.1021/jm00157a023

文献信息

• SOSNOVSKY G.; LUKSZO J.; RAO N. U. M., J. MED. CHEM., 29,(1986) N 7, 1250-1256
  作者：SOSNOVSKY G.、 LUKSZO J.、 RAO N. U. M.

  DOI：——

  日期：——
• In the search for new anticancer drugs. 17. Linear and cyclic polyether analogs of N,N:N',N':N",N"-tri-1,2-ethanediylphosphoric triamide and N,N:N',N':N",N"-tri-1,2-ethanediylphosphorothioic triamide
  作者：Geoge Sosnovsky、Jan Lukszo、N. Uma Rao

  DOI：10.1021/jm00157a023

  日期：1986.7

  Linear and cyclic polyether derivatives of N,N:N',N':N'',N''-tri-1, 2-ethanediylphosphoric triamide (TEPA) and N,N:N',N':N'',N''-tri-1,2-ethanediylphosphorothioic triamide (thio-TEPA) are synthesized and evaluated for their antineoplastic activity against the murine lymphocytic leukemia P388. All compounds, except for 7d, were active ranging from 42% to 287% increase in life span (% ILS). All CD2F1 male mice treated with the most active compound (7a) at 90 mg/kg per day for 9 days were alive after 30 days, whereas all mice treated with the clinical drug thio-TEPA were dead. The % ILS for compound 7a on day 60 was 525. A correlation is presented between the structural features of compounds and their lipophilicities and antineoplastic activities.