N'-[1-Phenyl-eth-(E)-ylidene]-hydrazinecarbodithioic acid allyl ester | 26155-63-5

• 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: N'-[1-Phenyl-eth-(E)-ylidene]-hydrazinecarbodithioic acid allyl ester
• CAS: 26155-63-5
• 化学式: C₁₂H₁₄N₂S₂
• 分子量: 250.389
• InChiKey: IRRTYACXFKRAFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N'-[1-Phenyl-eth-(E)-ylidene]-hydrazinecarbodithioic acid allyl ester 、 nickel(II) acetate tetrahydrate 以 甲醇 为溶剂， 反应 1.0h， 以88%的产率得到[Ni-(Ap-sadtc)₂]
  参考文献：
  名称：

  Distorted tetrahedral bis-(N,S) bidentate Schiff base complexes of Ni(II), Cu(II) and Zn(II): Synthesis, characterization and biological studies

  摘要：

  Transition metal complexes of acetophenone-S-allyldithiocarbazate [H-(Ap-sadtc)] of the general formula [M-(Ap-sadtc)(2)] (Ni2+, Cu2+, Zn2+) (1-3) were synthesized and characterized by elemental analysis, IJV-Vis, FT-IR, H-1 NMR, C-13 NMR and mass spectroscopy. The molecular structures of the ligand and its complexes 1-3 were confirmed by both theoretical as well as experimental methods. The interactions of the complexes with biomolecules, such as calf thymus DNA (CT-DNA) and bovine serum albumin (BSA), were explored using absorption and emission spectral techniques. All the complexes synthesized were found to be most promising due to their large binding affinity towards different biomacromolecules and higher K-cat, values in catechol oxidation (3,5-DTBC)/phosphate hydrolysis (4-NPP) reactions. The in vitro anticancer activities using MIT and a morphological staining assay indicate that the complexes are active against the (Hela) cervical cancer cell line, which is consistent with our above mentioned hypothesis. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2016.02.049
• 作为产物：
  描述：

  二硫化碳 、 苯乙酮 、 3-氯丙烯 生成 N'-[1-Phenyl-eth-(E)-ylidene]-hydrazinecarbodithioic acid allyl ester
  参考文献：
  名称：

  DE1934809

  摘要：

  公开号：