5-nitrofurfurylidene 2-(4-chlorobenzhydrazide) | 99979-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-nitrofurfurylidene 2-(4-chlorobenzhydrazide)
• 英文别名: 5-nitro-furfural-(4-chloro-benzoylhydrazone)；5-Nitro-furfural-(4-chlor-benzoylhydrazon)；4-chloro-N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide；4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
• CAS: 99979-15-4
• 化学式: C₁₂H₈ClN₃O₄
• 分子量: 293.666
• InChiKey: TVTTWOKDHXAHMH-VGOFMYFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对氯苯甲酸甲酯 在 硫酸 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 5-nitrofurfurylidene 2-(4-chlorobenzhydrazide)
  参考文献：
  名称：

  Tavares; Penna; Amaral, Bollettino Chimico Farmaceutico, 1997, vol. 136, # 3, p. 244 - 249

  摘要：

  DOI：

文献信息

• Antileishmanial activity screening of 5-nitro-2-heterocyclic benzylidene hydrazides
  作者：Daniela G. Rando、Mitchell A. Avery、Babu L. Tekwani、Shabana I. Khan、Elizabeth I. Ferreira

  DOI：10.1016/j.bmc.2008.05.076

  日期：2008.7

  A series of 53 nitro derivatives rationally designed were obtained by parallel synthesis and screened against Leishmania donovani. Six compounds exhibited IC50 values lower than standard drugs. Brief SAR analysis revealed that substitution is important to the activity. Nitrothiophene analogues were more potent than the nitrofuran ones. This was attributed to the ability of sulfur atoms in accommodating electrons from nitro group, which facilitate its reduction and therefore the formation of free radicals lethal to parasites. (c) 2008 Elsevier Ltd. All rights reserved.
• Saikachi et al., Pharmaceutical Bulletin, 1955, vol. 3, p. 194,198
  作者：Saikachi et al.

  DOI：——

  日期：——
• Tavares; Penna; Amaral, Bollettino Chimico Farmaceutico, 1997, vol. 136, # 3, p. 244 - 249
  作者：Tavares、Penna、Amaral

  DOI：——

  日期：——