acetonitrile-(1-benzothiazol-2-yl-5-(2-hydroxyphenyl)-3-methyl-4-methoxycarbonyl-1H-pyrazole-N2,N3')-dichlorido-cobalt(II) | 1238895-96-9

• 英文名称: acetonitrile-(1-benzothiazol-2-yl-5-(2-hydroxyphenyl)-3-methyl-4-methoxycarbonyl-1H-pyrazole-N2,N3')-dichlorido-cobalt(II)
• CAS: 1238895-96-9
• 化学式: C₂₁H₁₈Cl₂CoN₄O₃S
• 分子量: 536.364
• InChiKey: XIKWCQBGXAIUSO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1-benzothiazol-2-yl-5-(2-hydroxyphenyl)-3-methyl-4-methoxycarbonyl-1H-pyrazole-N2,N3'-dichlorido-cobalt(II) 、 乙腈 以 乙腈 为溶剂， 以54%的产率得到acetonitrile-(1-benzothiazol-2-yl-5-(2-hydroxyphenyl)-3-methyl-4-methoxycarbonyl-1H-pyrazole-N2,N3')-dichlorido-cobalt(II)
  参考文献：
  名称：

  Synthesis, X-ray structures, electrochemical properties and cytotoxic effects of Co(II) complexes

  摘要：

  1-Benzothiazol-2-yl-3,5-dimethyl-1H-pyrazole (1a) and 1-benzothiazol-2-yl-5-(2-hydroxyphenyl)-3-methyl-1H-pyrazole-4-carboxylic acid methyl ester (1b) were reacted with the hexahydrates of cobalt(II) chloride, cobalt(II) nitrate and cobalt(II) perchlorate to give the corresponding complexes 2a-4a and 2b-5b, respectively. Obtained compounds differ in coordination spheres of central atoms. The complex 2a includes a fivefold coordinated cobalt(II) ion, whereas 3a shows a distorted octahedral configuration around the cobalt(II) ion. All complexes were characterised by FTIR spectroscopy, MS and elemental analysis. The X-ray structures of 2a, 3a and 5b complexes were also solved. The cytotoxic properties of the ligand 1a and both series of Co(II) complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The ligands, were found to have very low cytotoxicity. Complex 3b exhibited the highest cytotoxic activity with IC50 values in the range of 6.9-17.1 mu M for three examined cell lines. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.03.011