| 181061-15-4

• CAS: 181061-15-4
• 化学式: C₄₀H₂₆Cl₄N₂O₂Pt₂
• 分子量: 1098.63
• InChiKey: JORAJOTZFXWXBW-LNUMVGPJSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 silver(I) acetate 以 氯仿 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Cyclometalated Complexes of Platinum and Palladium with N-(4-Chlorophenyl)-α-benzoylbenzylideneamine. In Vitro Cytostatic Activity, DNA Modification, and Interstrand Cross-Link Studies

  摘要：

  In the present paper we report the synthesis and structural IR and H-1 and C-13 NMR characterization of four platinum(II) and palladium(II) cyclometalated complexes of the formula [Pd(4-ClC6H4N=C(COC6H5)C6H4)X](2), where X=OAc (2) or Cl (3), and [Pt(4-ClC6H4N=C(COC6H5)C6H4)X](2), where X=Cl (4) or OAc (5). The acetate-bridged compounds 2 and 5 have an open-book structure. The chloro-bridged compounds 3 and 4 have an unfolded structure. Complex 2 crystallizes in the centrosymmetric triclinic space group , with Z=2. Unit cell parameters are as follows: a=11.765(3) Angstrom, b=12.862(4) Angstrom, c=15.022(5) Angstrom, alpha=84.08(2)degrees, beta=78.56(2)degrees, gamma=83.13(2)degrees. All these compounds were screened against MDA-MB 468 (breast carcinoma) and HL-60 (leukemic) tumor cells. The low IC50 values of compound 5 (1.05 mu M) and of compound 4 (1.58 mu M) against MDA-MB 468 and of 0.82 mu M (5) and 1.37 mu M (4) against HL-60 relative to cis-DDP (2.67 and 2.07 mu M, respectively) and other cyclometalated compounds suggest that the synthesized compounds may be regarded as having potential antitumor properties. The data suggest that the antiproliferative activity of compound 5 may correlate with its covalent binding to DNA and the induction of important modifications on the helix.

  DOI：

  10.1021/ic960050y
• 作为产物：
  描述：

  (2-methylallyl)platinum chloride dimer 、 N-(4-chlorophenyl)-α-benzoylbenzylideneamine 以 氯仿 为溶剂， 以62%的产率得到
  参考文献：
  名称：

  Cyclometalated Complexes of Platinum and Palladium with N-(4-Chlorophenyl)-α-benzoylbenzylideneamine. In Vitro Cytostatic Activity, DNA Modification, and Interstrand Cross-Link Studies

  摘要：

  In the present paper we report the synthesis and structural IR and H-1 and C-13 NMR characterization of four platinum(II) and palladium(II) cyclometalated complexes of the formula [Pd(4-ClC6H4N=C(COC6H5)C6H4)X](2), where X=OAc (2) or Cl (3), and [Pt(4-ClC6H4N=C(COC6H5)C6H4)X](2), where X=Cl (4) or OAc (5). The acetate-bridged compounds 2 and 5 have an open-book structure. The chloro-bridged compounds 3 and 4 have an unfolded structure. Complex 2 crystallizes in the centrosymmetric triclinic space group , with Z=2. Unit cell parameters are as follows: a=11.765(3) Angstrom, b=12.862(4) Angstrom, c=15.022(5) Angstrom, alpha=84.08(2)degrees, beta=78.56(2)degrees, gamma=83.13(2)degrees. All these compounds were screened against MDA-MB 468 (breast carcinoma) and HL-60 (leukemic) tumor cells. The low IC50 values of compound 5 (1.05 mu M) and of compound 4 (1.58 mu M) against MDA-MB 468 and of 0.82 mu M (5) and 1.37 mu M (4) against HL-60 relative to cis-DDP (2.67 and 2.07 mu M, respectively) and other cyclometalated compounds suggest that the synthesized compounds may be regarded as having potential antitumor properties. The data suggest that the antiproliferative activity of compound 5 may correlate with its covalent binding to DNA and the induction of important modifications on the helix.

  DOI：

  10.1021/ic960050y