[Cu(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)] | 1261629-18-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: [Cu(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)]
• CAS: 1261629-18-8
• 化学式: C₂₁H₂₂CuO₈
• 分子量: 465.947
• InChiKey: JLWYUOPXKJPBSN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
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• 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：

  [Cu(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)] 、 β-环糊精 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以90 mg的产率得到
  参考文献：
  名称：

  (Copper–curcumin) β-cyclodextrin vaginal gel: Delivering a novel metal–herbal approach for the development of topical contraception prophylaxis

  摘要：

  Delivering a safe and effective topical vaginal contraceptive is the need of present era. We explored the potential of a metal (copper) and herbal moiety (curcumin) for this topical contraceptive prophylaxis. Complex of copper and curcumin (Cu-Cur) was synthesized and the concerns regarding its aqueous solubility was resolved by including it into the hydrophobic cavity of beta-cyclodextrin (beta-CD) as (Cu-Cur)CD inclusion complex. Dose assessment was made on the basis of in-vitro spermicidal assays and cell cytotoxicity studies. Finally the (Cu-Cur)CD loaded vaginal gel was prepared, characterized and evaluated for in-vitro spermicidal activity and preclinical toxicity studies. Spectral and morphological characterizations confirmed the synthesis of (Cu-Cur) and (Cu-Cur)CD inclusion complex. Spermicidal assays and Hela cell cytotoxic data revealed an optimized 1.5% (Cu-Cur)CD for further studies. 1.5% w/w (Cu-Cur)CD loaded carbopol 974p gel provided 100% motility even at 2-fold dilution and preclinical toxicity studies in Rats and Rabbits revealed its highly safe profile. The hypothesis of considering metal-herbal complex and its cyclodextrin complex has worked and the well planned strategy of including it in (beta-CD) cavity provided a preeminent platform for vaginal delivery. In-vitro assays and preclinical toxicity analysis confirmed its potential to be used as highly safe and effective prophylaxis. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ejps.2014.09.019
• 作为产物：
  描述：

  curcumin 、 copper(II) acetate monohydrate 以 甲醇 为溶剂， 生成 [Cu(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)]
  参考文献：
  名称：

  Interaction of curcumin with Zn(II) and Cu(II) ions based on experiment and theoretical calculation

  摘要：

  Curcumin and its complexes with Zn2+ and Cu2+ ions were synthesized and characterized by elemental analysis, mass spectroscopy, IR spectroscopy, UV spectroscopy, solution H-1 and solid-state C-13 NMR spectroscopy, EPR spectroscopy. In addition, the density functional theory (DFT)-based UV and C-13 chemical shift calculations were also performed to view insight into those compound structures and properties. The results show that curcumin easily chelate the metal ions, such as Zn2+ and Cu2+, and the Cu(II)-curcumin complex has an ability to scavenge free-radicals. We demonstrated the differences between Zn(II)-curcumin and Cu(II)-curcumin complexes in structure and properties, enhancing the comprehensions about the curcumin roles in the Alzhermer's disease treatment. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.09.049