cis-dichloro{(pyridin-2-ylcarbonyl)[3-[(pyridin-2-ylcarbonyl)amino]propyl]azanido}gold(III) | 1445972-59-7

• 英文名称: cis-dichloro{(pyridin-2-ylcarbonyl)[3-[(pyridin-2-ylcarbonyl)amino]propyl]azanido}gold(III)
• CAS: 1445972-59-7
• 化学式: C₁₅H₁₅AuCl₂N₄O₂
• 分子量: 551.182
• InChiKey: XQVXZUZLANHWQZ-UHFFFAOYSA-K

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：

  sodium tetrachloroaurate(III) dihyrate 、 N,N'-bis(2-pyridinecarboxamide)-1,3-propane 在 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以93%的产率得到cis-dichloro{(pyridin-2-ylcarbonyl)[3-[(pyridin-2-ylcarbonyl)amino]propyl]azanido}gold(III)
  参考文献：
  名称：

  Chemistry of gold(III) with pyridine-carboxamide ligands

  摘要：

  The pyridine-carboxamide ligand PhNHC(=O)-2-C5H4N reacts with Na+[AuCl4](-) either by cation exchange, to give [PhNHC(=O)-2-C5H4NH][AuCl4], or by ligand substitution to give [AuCl2(kappa(2)-N,N'-PhNC(=O)-2-C5H4N)]. Similar reactions with bis(pyridine-carboxamide) ligands gave complexes [AuCl2(kappa(2)-N,N'-RNC(=O)-2-C5H4N)], with R = (CH2)(3)NHC(=O)-2-C5H4N or 2-C6H4NHC (=O)-2-C5H4N, in which the ligands are bidentate, but no complexes with tetradentate ligands could be isolated. The complex [AuCl2(kappa(2)-N,N'-PhNC(=O)-2-C5H4N)] in methanol solution is an efficient catalyst for oxidative cyanation of PhNMe2 to give PhMeNCH2CN, and it is proposed that the catalysis involves gold(I), gold(II) and gold(III) intermediates. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.11.022

文献信息

• Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors
  作者：Colin R. Wilson、Alexander M. Fagenson、Wanvipa Ruangpradit、Mark T. Muller、Orde Q. Munro

  DOI：10.1021/ic400339z

  日期：2013.7.15

  5% of the X-ray values), while accurate transition energies were limited to those calculated in the UV spectral region. The complexes had variable stability in dimethyl sulfoxide: compound 3 (relatively rigid) was indefinitely stable, compounds 1 and 2 (conformationally flexible) slowly demetalated over 30 days, and 4 (extensively aromatic) formed an insoluble precipitate after 10 days (72 h in an aqueous

  的结构中，光谱，和4个新的标称正方形平面金（III）的细胞毒性螯合1 - 4与通式CIS -AuCl 2（X），其中配体X为阴离子二齿吡啶基-或isoquinolylamido螯合剂，是描述。Au–N酰胺基，Au–N吡啶基和Au–N异喹啉基的距离分别为2.002（9）–2.016（3），2.01（1）–2.037（3）和2.037（3）Å。密度泛函理论模拟提供准确金（三）协调几何形状1 - 4（键的距离和角度在X射线值的5％以内），而准确的跃迁能量仅限于在UV光谱区域中计算出的跃迁能量。配合物在二甲亚砜中具有不同的稳定性：化合物3（相对刚性）无限稳定，化合物1和2（结构柔韧性）在30天内缓慢脱金属，而4（广泛芳香族）在10天（72 h沸腾）后形成不溶性沉淀。水性缓冲液）。异喹酰胺基衍生物4在NCI-60筛选中具有足够的细胞毒性，可以进行完整的五剂量试验。GI 50（1.8、2.3和3.2μM）和IC