4-(5,10,10,15,15,20,20-Heptamethyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline;methylsulfinylmethane;platinum(2+);dichloride | 1422195-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 4-(5,10,10,15,15,20,20-Heptamethyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline;methylsulfinylmethane;platinum(2+);dichloride
• 英文别名: 4-(5,10,10,15,15,20,20-heptamethyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline;methylsulfinylmethane;platinum(2+);dichloride
• CAS: 1422195-93-4
• 化学式: C₃₅H₄₅Cl₂N₅OPtS
• 分子量: 849.827
• InChiKey: CNKNEZMLBDZHQZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  45
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  126
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5,5,10,10,15,15,20-heptamethyl-20-(4-nitrophenyl)-5H,10H,15H,20H,22H,24H-porphyrin 在 palladium 10% on activated carbon 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷-D2 为溶剂， 反应 0.5h， 生成 4-(5,10,10,15,15,20,20-Heptamethyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline;methylsulfinylmethane;platinum(2+);dichloride
  参考文献：
  名称：

  Drug Delivery with a Calixpyrrole–trans-Pt(II) Complex

  摘要：

  A meso-p-nitroaniline-calix[4]pyrrole derivative trans-coordinated to a Pt(II) center was synthesized and its structure solved by X-ray analysis. Adenosine monophosphate (AMP) was used as a model compound to evaluate the potential for the assisted delivery of the metal to the DNA nucleobases via the phosphate anion-binding properties of the calix[4]pyrrole unit. An NMR investigation of the kinetics of AMP complexation in the absence of an H-bonding competing solvent (dry CD3CN) was consistent with this hypothesis, but we could not detect the interaction of the calix[4]pyrrole with phosphate in the presence of water. However, in vitro tests of the new trans-calixpyrrole- Pt(II) complex on different cancer cell lines indicate a cytotoxic activity that is unquestionably derived from the coexistence of both the trans-Pt(II) fragment and the calix[4]pyrrole unit.

  DOI：

  10.1021/ja307791j

文献信息

• Drug Delivery with a Calixpyrrole–<i>trans</i>-Pt(II) Complex
  作者：Grazia Cafeo、Grazia Carbotti、Angela Cuzzola、Marina Fabbi、Silvano Ferrini、Franz H. Kohnke、Georgia Papanikolaou、Maria Rosaria Plutino、Camillo Rosano、Andrew J. P. White

  DOI：10.1021/ja307791j

  日期：2013.2.20

  A meso-p-nitroaniline-calix[4]pyrrole derivative trans-coordinated to a Pt(II) center was synthesized and its structure solved by X-ray analysis. Adenosine monophosphate (AMP) was used as a model compound to evaluate the potential for the assisted delivery of the metal to the DNA nucleobases via the phosphate anion-binding properties of the calix[4]pyrrole unit. An NMR investigation of the kinetics of AMP complexation in the absence of an H-bonding competing solvent (dry CD3CN) was consistent with this hypothesis, but we could not detect the interaction of the calix[4]pyrrole with phosphate in the presence of water. However, in vitro tests of the new trans-calixpyrrole- Pt(II) complex on different cancer cell lines indicate a cytotoxic activity that is unquestionably derived from the coexistence of both the trans-Pt(II) fragment and the calix[4]pyrrole unit.