N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine | 857488-74-5

• 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: N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine
• 英文别名: N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine；N-Benzolsulfonyl-N'-(4-nitro-benzoyl)-guanidin
• CAS: 857488-74-5
• 化学式: C₁₄H₁₂N₄O₅S
• 分子量: 348.339
• InChiKey: SQUFFUWYOKDCSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  142.26
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine 在 乙醇 、 镍 作用下， 生成 N-(4-amino-benzoyl)-N'-benzenesulfonyl-guanidine
  参考文献：
  名称：

  Cortisol secretion throughout the day, perceptions of the work environment, and negative affect

  摘要：

  The effects of explanatory variables derived from a work stress model (the effort-reward imbalance model) on salivary cortisol were assessed A multilevel analysis was used to distinguish the effects of single occasion and multiple occasion measurements of work stress and effect an cortisol. The single (or cross-sectional) factors include Effort-Reward imbalance (ERI), need for control negative affect, and other enduring factors (type of occupation, gender and smoking). The multiple occasion measurements include momentary negative mood, Momentary Demand-Satisfaction Ratio (MD-SR), sleep quality, work load (workday versus day off) at work (versus not being at the workplace). and lunch. The effect of time of day on cortisol was controlled for before the effects of these variables were determined.Momentary negative mood but not trait negative affect was positively associated with ambulatory measured cortisol. The variables from the work stress model-effort, reward need for control, and the multiple occasion measurements of demand arm satisfaction-did not affect cortisol. As could be expected, time of day had an effect on cortisol ,but a hypothesised interaction with momentary negative mood was not found. Additionally, the results show that the time course of cortisol differs between individuals and that the effect of sleep quality on cortisol can vary from person to person. This points to the necessity of continued efforts to single out sources of individual variability.The finding that variables derived from the effort-reward imbalance model are not related with cortisol does not support the hypothesis that ERI lends to short-term changes in cortisol, indicating no relation with hypothalamic-pituitary-adrenal (HPA) axis activity. On the other hand the present results invite further qualification of negative affect as a potential determinant of HPA activity at least, as far as can be deduced from cortisol measurements.

  DOI：

  10.1007/bf02895668
• 作为产物：
  描述：

  对硝基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine
  参考文献：
  名称：

  一些取代磺脲类/胍基衍生物作为降血糖剂的基于结构的药物设计、评分和合成

  摘要：

  目的 : 目前的工作涉及 1-(4-(2-(4-取代苯基氨基)-2-氧乙基)苯基磺酰基)-3-(4-取代苯甲酰基)脲 (5A-5B) 的设计、评分、合成和表征),1-(4-(2-(4-取代苯基氨基)-2-氧乙基)苯基磺酰基)-3-(4-取代-苯甲酰基)胍(5C-5E)和，1-(4-取代苯甲酰基)-3- (4-(2-oxo-2-(piperazin-1-yl)ethyl)phenylsulfonyl)urea (5F-5H) 基衍生物作为降血糖剂。方法：使用 Glide 对接程序进行对接计算以预测 AKR1C1 复合物和磺脲类化合物之间的结合亲和力。对 LigPrep 处理的配体进行对接研究，以使用对接程序预测蛋白质 4YVP 的结合口袋。QikProp 程序用于预测类似物的 ADME/T 特性。通过与参考药物格列本脲相比，大多数相关动物模型（如四氧嘧啶诱导的糖尿病大鼠）通过测量血浆浓度来筛

  DOI：

  10.22159/ijpps.2017v9i12.21937