(4-(4-methoxybenzoyl)piperazin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-3-yl)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: (4-(4-methoxybenzoyl)piperazin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-3-yl)methanone
• 英文别名: Benzodioxane midst piperazine；2,3-Dihydro-1,4-benzodioxin-2-yl[4-(4-methoxybenzoyl)piperazino]methanone；2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
• 化学式: C₂₁H₂₂N₂O₅
• 分子量: 382.416
• InChiKey: AAKKTZPXZJLQRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对甲氧基苯甲酰氯 、 N-(1,4-苯并二烷-2-羰基)哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 (4-(4-methoxybenzoyl)piperazin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-3-yl)methanone
  参考文献：
  名称：

  Synthesis of novel benzodioxane midst piperazine moiety decorated chitosan silver nanoparticle against biohazard pathogens and as potential anti-inflammatory candidate: A molecular docking studies

  摘要：

  Nanoparticles (NPs) are currently being investigated along with the use of biodegradable polymer containing active agents in many areas of medicine for targeted applications. The present study was aimed to synthesize novel compound Benzodioxane midst piperazine (BP) and characterization of a BP decorated chitosan silver nanoparticles (BP*C@AgNPs) and shown effective against hazardous pathogens, and also having anti-inflammatory property. It was further evaluated for molecular docking proofs, and toxicity. The BP*C@AgNPs had spherical shape with size of 36.6 nm with wide biocidal activity against hazardous Gram-positive and Gram-negative bacteria with excellent inhibition at 100 mu g/mL for S. aureus (10.08 +/- 0.05 mm ZOI), and E. coli (10.03 +/- 0.04 mm ZOI) compared to antibiotic Streptomycin. The anti-inflammatory activity exhibited IC50 value of 71.61 +/- 1.05 mu g/mL for BP*C@AgNPs compared to indomethacin (IC50 = 40.15 +/- 1.21 mu g/mL). Also, the docking study of BP showed excellent score for COX1 and DNA gyrase. This in silica study confirmed the achieved efficacy of BP, with less toxicity against normal PMBCs in vitro and in vivo studies. This study concludes that, the novel synthesized BP*C@AgNPs had excellent biocidal property and as anti-inflammatory candidate revealed by docking studies, it confirms BP*C@AgNPs for first-class therapeutic applications in the area of medicinal nanotechnology for the coming days. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ijbiomac.2017.12.045

文献信息

• Synthesis of novel benzodioxane midst piperazine moiety decorated chitosan silver nanoparticle against biohazard pathogens and as potential anti-inflammatory candidate: A molecular docking studies
  作者：C.S. Karthik、H.M. Manukumar、A.P. Ananda、S. Nagashree、K.P. Rakesh、L. Mallesha、Hua-Li Qin、S. Umesha、P. Mallu、N.B. Krishnamurthy

  DOI：10.1016/j.ijbiomac.2017.12.045

  日期：2018.3

  Nanoparticles (NPs) are currently being investigated along with the use of biodegradable polymer containing active agents in many areas of medicine for targeted applications. The present study was aimed to synthesize novel compound Benzodioxane midst piperazine (BP) and characterization of a BP decorated chitosan silver nanoparticles (BP*C@AgNPs) and shown effective against hazardous pathogens, and also having anti-inflammatory property. It was further evaluated for molecular docking proofs, and toxicity. The BP*C@AgNPs had spherical shape with size of 36.6 nm with wide biocidal activity against hazardous Gram-positive and Gram-negative bacteria with excellent inhibition at 100 mu g/mL for S. aureus (10.08 +/- 0.05 mm ZOI), and E. coli (10.03 +/- 0.04 mm ZOI) compared to antibiotic Streptomycin. The anti-inflammatory activity exhibited IC50 value of 71.61 +/- 1.05 mu g/mL for BP*C@AgNPs compared to indomethacin (IC50 = 40.15 +/- 1.21 mu g/mL). Also, the docking study of BP showed excellent score for COX1 and DNA gyrase. This in silica study confirmed the achieved efficacy of BP, with less toxicity against normal PMBCs in vitro and in vivo studies. This study concludes that, the novel synthesized BP*C@AgNPs had excellent biocidal property and as anti-inflammatory candidate revealed by docking studies, it confirms BP*C@AgNPs for first-class therapeutic applications in the area of medicinal nanotechnology for the coming days. (C) 2017 Elsevier B.V. All rights reserved.