| 1616483-74-9

• CAS: 1616483-74-9
• 化学式: C₁₈H₁₆FeO₂
• 分子量: 320.171
• InChiKey: COTSVJMOCUJJQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 N--L-alanine ethyl ester hydrochloride 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.75h， 以19%的产率得到
  参考文献：
  名称：

  The synthesis, structural characterization and in vitro anticancer activity of novel 1-alkyl-1′-N-meta-(ferrocenyl) benzoyl dipeptide esters and novel 1-alkyl-1′-N-ortho-(ferrocenyl) benzoyl dipeptide esters

  摘要：

  1-Alkyl-1'-N-meta-(ferrocenyl) benzoyl dipeptide esters 7-18 and 1-alkyl-1'-N-ortho-(ferrocenyl) benzoyl dipeptide esters 19-30 were prepared by coupling the alkyl ferrocenyl benzoic acids 1-6 to the dipeptide ethyl esters Gly-Gly(OEt), Gly-L-Ala(OEt), Gly-L-Leu(OEt) and Gly-L-Phe(OEt) using the standard N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (EDC), 1-hydroxybenzotriazole (HOBt) protocol. The alkyl groups employed in the synthesis were methyl, ethyl and propyl. The compounds were characterized using a combination of H-1 NMR, C-13 NMR, DEPT-135 and H-1-C-13 COSY (HMQC) spectroscopy and electrospray ionization mass spectrometry (ESI-MS). Selected compounds showed micromolar activity in the H1299 NSCLC cell line, with IC50 values in the range of 2.6-20.1 mu M. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.027
• 作为产物：
  描述：

  methyl ferrocene 、 邻氨基苯甲酸 在 盐酸 、 sodium nitrite 作用下， 以16%的产率得到
  参考文献：
  名称：

  The synthesis, structural characterization and in vitro anticancer activity of novel 1-alkyl-1′-N-meta-(ferrocenyl) benzoyl dipeptide esters and novel 1-alkyl-1′-N-ortho-(ferrocenyl) benzoyl dipeptide esters

  摘要：

  1-Alkyl-1'-N-meta-(ferrocenyl) benzoyl dipeptide esters 7-18 and 1-alkyl-1'-N-ortho-(ferrocenyl) benzoyl dipeptide esters 19-30 were prepared by coupling the alkyl ferrocenyl benzoic acids 1-6 to the dipeptide ethyl esters Gly-Gly(OEt), Gly-L-Ala(OEt), Gly-L-Leu(OEt) and Gly-L-Phe(OEt) using the standard N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (EDC), 1-hydroxybenzotriazole (HOBt) protocol. The alkyl groups employed in the synthesis were methyl, ethyl and propyl. The compounds were characterized using a combination of H-1 NMR, C-13 NMR, DEPT-135 and H-1-C-13 COSY (HMQC) spectroscopy and electrospray ionization mass spectrometry (ESI-MS). Selected compounds showed micromolar activity in the H1299 NSCLC cell line, with IC50 values in the range of 2.6-20.1 mu M. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.027