1,2-Diamino-N,N'-diBOC-2-methyl-3-(p-hydroxyphenyl)propan | 148144-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,2-Diamino-N,N'-diBOC-2-methyl-3-(p-hydroxyphenyl)propan
• CAS: 148144-88-1
• 化学式: C₂₀H₃₂N₂O₅
• 分子量: 380.484
• InChiKey: PLFGZEUVZCXPIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  96.89
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,2-Diamino-N,N'-diBOC-2-methyl-3-(p-hydroxyphenyl)propan 在 盐酸 、 sodium 作用下， 以 乙醚 为溶剂， 反应 7.0h， 生成 17-estra-1,3,5(10)-trien-3-yl p-toluenesulfonat-dihydrochlorid
  参考文献：
  名称：

  Synthese und Antitumoraktivität voncis-Dichloroplatin(II)-Komplexen mit Östradiolderivaten

  摘要：

  Estrogen-receptor binding moieties were introduced into Pt(II) complexes in order to facilitate the selective transport into cancer cells. Estradiol esters of 2,3-diaminopropionic acid and estradiol ethers of 1,2-diamino-2-methyl-3-(p-hydroxyphenyl)propane were attached to Pt(II) complexes. The antitumor activity of the compounds was tested towards the human mammary carcinoma cell lines MDA-MB 231 and MCF-7, respectively, and the estrogen-receptor binding affinity of the Pt(II) complexes was determined. The steroidal Pt(II) complexes gave a maximum growth inhibition of 80% and a maximum estrogen-receptor binding affinity of 5.18.

  DOI：

  10.1007/bf00808513
• 作为产物：
  描述：

  N-重氮基氨基甲酸叔-丁基酯 、 <1,2-Diamino-1-(p-hydroxy)benzyl-1-methyl>ethan-dihydrobromid 在 三乙胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 以63%的产率得到1,2-Diamino-N,N'-diBOC-2-methyl-3-(p-hydroxyphenyl)propan
  参考文献：
  名称：

  Synthese und Antitumoraktivität voncis-Dichloroplatin(II)-Komplexen mit Östradiolderivaten

  摘要：

  Estrogen-receptor binding moieties were introduced into Pt(II) complexes in order to facilitate the selective transport into cancer cells. Estradiol esters of 2,3-diaminopropionic acid and estradiol ethers of 1,2-diamino-2-methyl-3-(p-hydroxyphenyl)propane were attached to Pt(II) complexes. The antitumor activity of the compounds was tested towards the human mammary carcinoma cell lines MDA-MB 231 and MCF-7, respectively, and the estrogen-receptor binding affinity of the Pt(II) complexes was determined. The steroidal Pt(II) complexes gave a maximum growth inhibition of 80% and a maximum estrogen-receptor binding affinity of 5.18.

  DOI：

  10.1007/bf00808513