4-fluoro-benzaldehyde-N⁴-phenylthiosemicarbazone | 16113-42-1

• 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: 4-fluoro-benzaldehyde-N⁴-phenylthiosemicarbazone
• 英文别名: 4-fluorobenzaldehyde (N'-phenyl)thiosemicarbazone；4-Phenyl-1-(4-fluor-benzyliden)-thiosemicarbazid；p-fluorobenzaldehyde N(4)-phenylthiosemicarbazone；4-fluoro-benzaldehyde 4-phenyl-thiosemicarbazone；4-Fluorobenzaldehyde N-phenylthiosemicarbazone；1-[(4-fluorophenyl)methylideneamino]-3-phenylthiourea
• CAS: 16113-42-1
• 化学式: C₁₄H₁₂FN₃S
• 分子量: 273.334
• InChiKey: XGDGKLGXGAALNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 4-fluoro-benzaldehyde-N⁴-phenylthiosemicarbazone 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  一种用于提高种植体抗感染能力的化合物及 其制备方法和用途

  摘要：

  本发明公开了一种具有结构式(I)的用于提高种植体抗感染能力的化合物及其制备方法和用途。(I)，其化学名称为一氯化一氯一对氟化苯‑2‑缩N4‑苯基氨基硫脲一甲基异丙基苯合钌(II)。其对金黄色葡萄球菌(ATCC 6538)、大肠埃希氏菌(ATCC 25922)、白假丝酵母(ATCC 10231)、枯草芽孢杆菌黑色变种(ATCC 9372)都具有很强的杀菌性，具有优异的抗菌性能，而且对成骨细胞表现出促进生长的作用，无毒，用于制备提高种植体性能和预防种植体相关感染的药物，具有很明显的应用潜力。本发明所述用于提高种植体抗感染能力的化合物的制备方法简单，原料易得，具有成本低的优势。

  公开号：

  CN104277076B
• 作为产物：
  描述：

  对氟苯甲醛 、 4-苯基-3-硫代氨基脲 以 乙醇 为溶剂， 反应 4.0h， 生成 4-fluoro-benzaldehyde-N⁴-phenylthiosemicarbazone
  参考文献：
  名称：

  一种用于提高种植体抗感染能力的化合物及 其制备方法和用途

  摘要：

  本发明公开了一种具有结构式(I)的用于提高种植体抗感染能力的化合物及其制备方法和用途。(I)，其化学名称为一氯化一氯一对氟化苯‑2‑缩N4‑苯基氨基硫脲一甲基异丙基苯合钌(II)。其对金黄色葡萄球菌(ATCC 6538)、大肠埃希氏菌(ATCC 25922)、白假丝酵母(ATCC 10231)、枯草芽孢杆菌黑色变种(ATCC 9372)都具有很强的杀菌性，具有优异的抗菌性能，而且对成骨细胞表现出促进生长的作用，无毒，用于制备提高种植体性能和预防种植体相关感染的药物，具有很明显的应用潜力。本发明所述用于提高种植体抗感染能力的化合物的制备方法简单，原料易得，具有成本低的优势。

  公开号：

  CN104277076B

文献信息

• Synthesis and antimicrobial studies of novel 2,4-diaryl-3-azabicyclo[3.3.1]nonan-9-one 4′-phenylthiosemicarbazones
  作者：Seeman Umamatheswari、Senthamaraikannan Kabilan

  DOI：10.3109/14756366.2010.525508

  日期：2011.6.1

  New series of 2,4-diaryl-3-azabicyclo[3.3.1]nonan-9-one 4'-phenylthiosemicarbazones (compounds 9-16) was obtained from the corresponding 2,4-diaryl-3-azabicyclo[3.3.1]nonan-9-ones. The synthesized compounds have been characterized by their elemental, analytical, and spectral studies. Besides, these reported compounds were screened for their antibacterial and antifungal activities against a spectrum

  从相应的2,4-二芳基-3-氮杂双环[3.3.1]获得了新的2,4-二芳基-3-氮杂双环[3.3.1]壬南-9-一4'-苯基硫代半咔唑酮（化合物9-16）。 ] nonan-9-ones。合成的化合物已通过其元素，分析和光谱研究进行了表征。此外，还对这些报道的化合物针对各种微生物的抗菌和抗真菌活性进行了筛选。这些研究证明，针对细菌，针对枯草芽孢杆菌的化合物10和11，针对伤寒沙门氏菌的化合物13，在低浓度（6.25μg/ mL）时显示最大的抑制效力，而对于真菌，化合物11、13和16对白色念珠菌和化合物12和13对抗新型隐球菌，在最小浓度（6.25μg/ mL）下显示出有益的抗真菌活性。
• Synthesis, structure and antiproliferative activity of organometallic iridium(III) complexes containing thiosemicarbazone ligands
  作者：Wei Su、Binghua Peng、Peiyuan Li、Qi Xiao、Shan Huang、Yunqiong Gu、Zefeng Lai

  DOI：10.1002/aoc.3610

  日期：2017.6

  A series of half‐sandwich iridium complexes (1–4) with thiosemicarbazone ligands in two types of coordination modes were synthesized and characterized. The molecular structures of compounds 1, 2 and 3 were determined using single‐crystal X‐ray diffraction analysis. The nature of the complexes was studied using density functional theory calculations. The stability of the complexes was investigated using

  一系列半夹心铱络合物（的1 - 4），在两种类型的配位模式缩氨基硫脲配位体的合成和表征。化合物的分子结构1，2和3使用单晶X射线衍射分析来确定。使用密度泛函理论计算研究了配合物的性质。使用紫外可见吸收光谱法研究了配合物的稳定性。进一步评估了这些化合物对HeLa，HepG2，CNE-2，SGC-7901，KB和HEK-293 T细胞系的体外抗增殖活性。化合物2 在其他类似物和顺铂中显示出最高的抗增殖活性。
• Joshi,K.C.; Gupta,J.S., Indian Journal of Chemistry, 1967, vol. 5, p. 139 - 141
  作者：Joshi,K.C.、Gupta,J.S.

  DOI：——

  日期：——
• Synthesis, structures, antiproliferative activity of a series of ruthenium(II) arene derivatives of thiosemicarbazones ligands
  作者：Wei Su、Zhaofeng Tang、Qi Xiao、Peiyuan Li、Quanquan Qian、Xiaolin Lei、Shan Huang、Binghua Peng、Jianguo Cui、Chusheng Huang

  DOI：10.1016/j.jorganchem.2014.12.041

  日期：2015.5

  A series of [(p-cymene) Ru(TSC)Cl]Cl compounds ([1] Cl, [2] Cl and [3] Cl) and their corresponding [(p-cymene) Ru(TSC) Cl][(p-cymene)RuCl3] derivatives ([1][(p-cymene) RuCl3], [2][(p-cymene) RuCl3] and [3] [(p-cymene)RuCl3]) have been synthesized and characterized by H-1 NMR, elemental analysis and HR-ESI-mass spectrometry. The molecular structures of [2] Cl, [3] Cl, [1][(p-cymene) RuCl3], [2][(p-cymene) RuCl3] and [3][(p-cymene)RuCl3] have been characterized by single-crystal X-ray diffraction analysis. The complexes have been further evaluated for their in vitro antiproliferative activities against the SGC-7901 human gastric cancer, BEL-7404 human liver cancer and HEK-293T noncancerous cell lines. Furthermore, the interactions of the complexes [1] Cl and [1][(p-cymene)RuCl3] with HSA have been followed by fluorescence spectrometry studies. (C) 2015 Elsevier B.V. All rights reserved.
• Synthesis and characterization of square planar nickel(II) complexes with p-fluorobenzaldehyde thiosemicarbazone derivatives
  作者：Marisa Belicchi Ferrari、Silvia Capacchi、Franco Bisceglie、Giorgio Pelosi、Pieralberto Tarasconi

  DOI：10.1016/s0020-1693(00)00339-x

  日期：2001.1

  New thiosemicarbazone nickel complexes (1-7), derived from p-fluorobenzaldehyde and differently substituted thiosemicarbazides, were synthetized and characterized by means of NMR and IR techniques. The p-fluorobenzaldehyde 4-ethylthiosemicarbazone Et-Hfbt (1) and its complex [Ni(Et-fbt)(2)] (2) were also characterized by X-ray diffractometry. Molecule 1 consists of two units: the p-fluorobenzaldehyde residue and the thiosemicarbazonic chain. In the reaction of 1 with NiAc2. 4H(2)O, complex 2 was afforded. The molecular structure of 2 consists of the neutral complexes [Ni(Et-fbt)(2)] with the metal not lying on a symmetry centre, with two consequently independent ligand molecules; the coordination results in a square planar geometry slightly twisted towards a tetrahedron, involving the sulfur and the hydrazine nitrogen atoms of the two ligands in a trans configuration. (C) 2001 Elsevier Science B.V. All rights reserved.