苯甲酸-(2-甲氧基-5-硝基苯胺) | 34326-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯甲酸-(2-甲氧基-5-硝基苯胺)
• 英文名称: benzoic acid-(2-methoxy-5-nitro-anilide)
• 英文别名: 4-Nitro-2-benzamino-phenol-methylaether；Benzoesaeure-(2-methoxy-5-nitro-anilid)；4-Nitro-2-benzamino-anisol；N-(2-Methoxy-5-nitrophenyl)benzamid；N-(2-methoxy-5-nitrophenyl)benzamide
• CAS: 34326-53-9
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: DBERSCVSQJHQAN-UHFFFAOYSA-N

物化性质

• 沸点：
  360.0±32.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯甲酸-(2-甲氧基-5-硝基苯胺) 在 溶剂黄146 、 锌 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 N-(5-氨基-2-甲氧基苯基)苯甲酰胺
  参考文献：
  名称：

  [EN] BET SUBFAMILY INHIBITORS AND METHODS USING SAME
  [FR] INHIBITEURS DE LA SOUS-FAMILLE BET ET MÉTHODES LES UTILISANT

  摘要：

  在一个方面，本公开提供了抑制睾丸溴域（BRDT）的化合物。在某些实施例中，该化合物抑制BRDT的溴域-2。在另一个方面，本公开提供了一种抑制男性主体中BRDT的方法，该方法包括向男性主体施用本公开的化合物的治疗有效量。在某些实施例中，该方法在男性主体中提供避孕效果。

  公开号：

  WO2022159454A1
• 作为产物：
  描述：

  4-甲氧基-3-硝基苯甲酸 在 ammonium sulfide 、 硝酸 作用下， 生成 苯甲酸-(2-甲氧基-5-硝基苯胺)
  参考文献：
  名称：

  Adrenocortical Dysfunction Following Etomidate Induction in Emergency Department Patients

  摘要：

  Abstract. Objective: To assess adrenocortical function following intravenous etomidate use in emergency department (ED) patients requiring intubation. Methods: This was a prospective, randomized, controlled trial of consecutive patients presenting to the ED requiring intubation. Patients were randomized to receive a single bolus induction dose of either 0.05‐0.1 mg/kg midazolam (control group) or 0.3 mg/kg etomidate (etomidate group) during a standardized rapid‐sequence intubation (RSI) with succinylcholine. The primary outcome variable was adrenocortical function at 4, 12, and 24 hours post‐induction as assessed by measured serum cortisol response to exogenous cosyntropin (cosyntropin stimulation test, CST). Fisher's exact test was used to compare CST results between groups. Results: Thirty‐one patients were enrolled: 8 control, 10 etomidate, and 13 excluded from analysis for either incomplete data or steroid use during the study period. The 4‐hour CST results were significantly different between study groups, with a normal response in 100% of control patients vs 30% of etomidate patients (p = 0.004). The 12‐ and 24‐hour CSTs did not differ significantly between groups: normal CST in 100% of control patients at 12 and 24 hours vs 100% and 90% among etomidate patients at 12 and 24 hours, respectively (p = 1.0 at 12 and 24 hours). Measured cortisol levels of patients with abnormal CSTs remained within normal laboratory reference ranges. Conclusion: Use of etomidate in ED patients requiring RSI results in adrenocortical dysfunction. However, cortisol levels remain within normal laboratory levels during this period of dysfunction. Adrenocortical dysfunction appears to resolve within 12 hours of a single bolus dose of 0.3 mg/kg etomidate.

  DOI：

  10.1111/j.1553-2712.2001.tb00537.x

文献信息

• Acylthiourea, Acylurea, and Acylguanidine Derivatives with Potent Hedgehog Inhibiting Activity
  作者：Antonio Solinas、Hélène Faure、Hermine Roudaut、Elisabeth Traiffort、Angèle Schoenfelder、André Mann、Fabrizio Manetti、Maurizio Taddei、Martial Ruat

  DOI：10.1021/jm2013369

  日期：2012.2.23

  The Smoothened (Smo) receptor is the major transducer of the Hedgehog (Hh) signaling pathway. On the basis of the structure of the acylthiourea Smo antagonist (MRT-10), a number of different series of analogous compounds were prepared by ligand-based structural optimization. The acylthioureas, originally identified as actives, were converted into the corresponding acylureas or acylguanidines. In each series, similar structural trends delivered potent compounds with IC50 values in the nanomolar range with respect to the inhibition of the Hh signaling pathway in various cell-based assays and of BODIPY-cyclopamine binding to human Smo. The similarity of their biological activities, in spite of discrete structural differences, may reveal the existence of hydrogen-bonding interactions between the ligands and the receptor pocket. Biological potency of compounds 61, 72, and 86 (MRT-83) were comparable to those of the clinical candidate GDC-0449. These findings suggest that these original molecules will help delineate Smo and Hh functions and can be developed as potential anticancer agents.
• Azo dyes and their production
  申请人：ICI LTD

  公开号：US02052424A1

  公开（公告）日：1936-08-25
• Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases
  申请人：Hannus Michael

  公开号：US20090324580A1

  公开（公告）日：2009-12-31

  The present invention relates to the use of inhibitors of scavenger receptor class proteins, in particular ScarB1 for the production of a medicament for treatment of and/or prophylaxis against infections, involving liver cells and/or hematopoietic cells, in particular malaria.
• USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES
  申请人：HANNUS MICHAEL

  公开号：US20120276121A1

  公开（公告）日：2012-11-01

  The present invention relates to the use of inhibitors of scavenger receptor class proteins, in particular ScarB1 for the production of a medicament for treatment of and/or prophylaxis against infections, involving liver cells and/or hematopoietic cells, in particular malaria.
• US8507546B2
  申请人：——

  公开号：US8507546B2

  公开（公告）日：2013-08-13