[Cu(phen)(H2O)(H2P2O7)] | 1228070-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Cu(phen)(H2O)(H2P2O7)]
• 英文别名: [Cu(1,10-phenanthroline)(water)(dihydrogen pyrophosphate)]；copper;[hydroxy(oxido)phosphoryl] hydrogen phosphate;1,10-phenanthroline;hydrate
• CAS: 1228070-94-7
• 化学式: C₁₂H₁₂CuN₂O₈P₂
• 分子量: 437.729
• InChiKey: HJDYQRDQIXOKGX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  157
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 sodium pyrophosphate 、 copper(II) nitrate trihydrate 以 高氯酸 为溶剂， 生成 [Cu(phen)(H2O)(H2P2O7)]
  参考文献：
  名称：

  Expanding Monomeric Pyrophosphate Complexes beyond Platinum

  摘要：

  Four new monomeric pyrophosphate complexes, namely [Co-(phen)(2)(H2P2O7)]center dot 4H(2)O (1.4H(2)O), [Ni(phen)(2)(H2P2O7)]center dot 8H(2)O (2. 8H(2)O), [Cu(Phen)(H2O)(H2P2O7)] (3) and {[Cu(phen)(H2O)(P2O7)][Na-2(H2O)(8)]}center dot 6H(2)O (4. 14H(2)O) have been isolated and structurally characterized. The impact of pH and stoichiometry in obtaining 1-4 is described. These complexes have been tested against the adriamycin-resistant ovarian cancer cell line A2780/AD, revealing highly significant (nM) IC50 values, compared to mu M IC50 values for cisplatin controls.

  DOI：

  10.1021/ic1006007

文献信息

• Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes
  作者：Nadia Marino、Oluwatayo. F. Ikotun、Miguel Julve、Francesc Lloret、Juan Cano、Robert P. Doyle

  DOI：10.1021/ic1020884

  日期：2011.1.3

  The reaction in water of Cu(NO3)2·2.5H2O with 2,2′-bipyridine (bipy), 1,10-phenanthroline (phen), or 1,10-phenanthroline-5-amine (phenam), and sodium pyrophosphate (Na4P2O7), at various pHs, afforded three new copper(II)-pyrophosphate complexes, namely, [Cu(bipy)(cis-H2P2O7)]2}·3H2O (1a), [Cu(phen)(H2O)]4(HP2O7)2}(ClO4)2·4H2O (2), and [Cu2(phenam)2(P2O7)]2·25H2O}n (3). A solvent free crystalline

  Cu（NO 3）2 ·2.5H 2 O在水中与2,2'-联吡啶（bipy），1,10-菲咯啉（phen）或1,10-菲咯啉-5-胺（phenam）的反应，和焦磷酸钠（Na 4 P 2 O 7），在不同的pH值下，得到了三种新的焦磷酸铜（II）配合物，即[Cu（bipy）（cis -H 2 P 2 O 7）] 2 }·3H 2 O（1a），[Cu（phen）（H 2 O）] 4（HP 2 O 7）2 }（ClO 4）2 ·4H2 O（2）和[Cu 2（phenam）2（P 2 O 7）] 2 ·25H 2 O} n（3）。还分离了分子式为[Cu（bipy）（trans -H 2 P 2 O 7）] 2 }（1b）的无溶剂结晶相1a，其可以视为1a的拟多晶型物。单晶X射线分析显示这些化合物具有罕见的分子结构，其中3是一种前所未有的含焦磷酸盐的二维（2D）聚合物。化合物1a / 1b和2
• MONOMERIC PYROPHOSPHATE COMPLEXES AND METHODS OF TREATMENT USING THE COMPLEXES
  申请人：Doyle Robert

  公开号：US20110092465A1

  公开（公告）日：2011-04-21

  The present invention involves pyrophosphate bridged coordination complexes and the treatment of medical conditions, such as cancer, using the pyrophosphate bridged coordination complexes. The pyrophosphate bridged coordination complexes include four new compounds, [Co(phen) 2 (H 2 P 2 O 7 )].4H 2 O (1.4H 2 O), [Ni(phen) 2 (H 2 P 2 O 7 )].8H 2 O (2.8H 2 O), [Cu(phen)(H 2 O)(H 2 P 2 O 7 )], and [Cn(phen)(H 2 O)(P 2 O 7 )] [Na 2 (H 2 O) 8 ]}.6H 2 O(4.14H 2 O) found effective for treating cancer cells. The pyrophosphate bridged coordination complexes also include three previously reported compounds, [Ni(phen) 2 ] 2 (μ-P 2 O 7 )}.27H 2 O (compound 11 ), [Cu(phen)(H 2 O)] 2 (μ-P 2 O 7 )}.8H 2 O (compound 12 ), and [Co(phen) 2 ] 2 (μ-25 P 2 O 7 )}.6MeOH (compound 13 ), (where phen is 1,1 0′-phenanthroline), whose effectiveness in treating cancer cells was previously unknown.

  本发明涉及焦磷酸桥联配合物及使用该焦磷酸桥联配合物治疗医疗状况，例如癌症。该焦磷酸桥联配合物包括四种新化合物，[Co(phen)2(H2P2O7)].4 (1.4 )，[Ni(phen)2(H2P2O7)].8 (2.8 )，[Cu(phen)(H2O)(H2P2O7)]和[Cn(phen)( )(P2O7)] [Na2( )8]}.6 (4.14 )，被发现对治疗癌细胞有效。该焦磷酸桥联配合物还包括三种先前报道的化合物，[Ni(phen)2]2(μ-P2O7)}.27 (化合物11)，[Cu(phen)( )]2(μ-P2O7)}.8 (化合物12)和[Co(phen)2]2(μ-25 P2O7)}.6MeOH (化合物13)，(其中phen是1,1 0′-菲咯啉)，它们以前未知的对治疗癌细胞的有效性。