11,12,12-tris-(p-methoxyphenyl)dodec-11-enyl 6'-(t-butoxycarbonylaminomethyl)nicotinate | 1351643-80-5

• 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: 11,12,12-tris-(p-methoxyphenyl)dodec-11-enyl 6'-(t-butoxycarbonylaminomethyl)nicotinate
• CAS: 1351643-80-5
• 化学式: C₄₅H₅₆N₂O₇
• 分子量: 736.949
• InChiKey: MGYQDUMNRHZZNC-UHFFFAOYSA-N

物化性质

• 沸点：
  811.5±65.0 °C(predicted)
• 密度：
  1.106±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.46
• 重原子数：
  54.0
• 可旋转键数：
  20.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  105.21
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  11,12,12-tris-(p-methoxyphenyl)dodec-11-enyl 6'-(t-butoxycarbonylaminomethyl)nicotinate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以100%的产率得到11,12,12-tris-(p-methoxyphenyl)dodec-11-enyl 6'-aminomethylnicotinate dihydrochloride
  参考文献：
  名称：

  Lipophilic Pt(II) complexes with selective efficacy against cisplatin-resistant testicular cancer cells

  摘要：

  A series of dichloridoplatinum(II) complexes with selective and high cytotoxicity [IC90(96 h) <= 3 mu M] against cisplatin-resistant 1411 HP testicular cancer cells were identified. They bear stationary 6-aminomethylnicotinate or 2,4-diaminobutyrate ligands esterified with lipophilic terpenyl residues, i.e., (-)/(+)-menthyl, (+)-cedrenyl, (-)-menthoxypropyl, or with a decyl-tethered 1,1,2-triphenylethene. They accumulated to a larger extent in 1411 HP cells than in cells of the cisplatin-sensitive H12.1 germ cell tumour. Their mechanism of apoptosis induction differed from that of cisplatin by being independent of p53 and of caspase-3 activation and by an early loss of the mitochondrial membrane potential. The new complexes are promising candidates for the treatment of cisplatin-resistant testicular tumours. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2011.08.028
• 作为产物：
  描述：

  6-[[(叔丁氧基羰基)氨基]甲基]烟酸 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 16.33h， 生成 11,12,12-tris-(p-methoxyphenyl)dodec-11-enyl 6'-(t-butoxycarbonylaminomethyl)nicotinate
  参考文献：
  名称：

  Lipophilic Pt(II) complexes with selective efficacy against cisplatin-resistant testicular cancer cells

  摘要：

  A series of dichloridoplatinum(II) complexes with selective and high cytotoxicity [IC90(96 h) <= 3 mu M] against cisplatin-resistant 1411 HP testicular cancer cells were identified. They bear stationary 6-aminomethylnicotinate or 2,4-diaminobutyrate ligands esterified with lipophilic terpenyl residues, i.e., (-)/(+)-menthyl, (+)-cedrenyl, (-)-menthoxypropyl, or with a decyl-tethered 1,1,2-triphenylethene. They accumulated to a larger extent in 1411 HP cells than in cells of the cisplatin-sensitive H12.1 germ cell tumour. Their mechanism of apoptosis induction differed from that of cisplatin by being independent of p53 and of caspase-3 activation and by an early loss of the mitochondrial membrane potential. The new complexes are promising candidates for the treatment of cisplatin-resistant testicular tumours. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2011.08.028