1-硝基-4-(3,3,3-三甲氧基丙基)苯 | 66757-85-5

• 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: 1-硝基-4-(3,3,3-三甲氧基丙基)苯
• 英文名称: 1-(p-Nitrophenyl)-3,3,3-trimethoxypropan
• 英文别名: 1-Nitro-4-(3,3,3-trimethoxypropyl)benzene
• CAS: 66757-85-5
• 化学式: C₁₂H₁₇NO₅
• 分子量: 255.271
• InChiKey: PFKOTCQYPQPSIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  73.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-硝基-4-(3,3,3-三甲氧基丙基)苯 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 methyl 3-(4-nitrophenyl)propanoate
  参考文献：
  名称：

  Novokreshchennykh,V.D. et al., Journal of Organic Chemistry USSR (English Translation), 1978, vol. 14, p. 505 - 512

  摘要：

  DOI：
• 作为产物：
  描述：

  (2,2-二氯环丙基)苯 以 甲醇 为溶剂， 生成 1-硝基-4-(3,3,3-三甲氧基丙基)苯
  参考文献：
  名称：

  Novokreshchennykh,V.D. et al., Journal of Organic Chemistry USSR (English Translation), 1978, vol. 14, p. 505 - 512

  摘要：

  DOI：

文献信息

• 4,5-Dihydro-3-(methanesulfonamidophenyl)-1-phenyl-1H-2,4-benzodiazepines: A Novel Class III Antiarrhythmic Agents
  作者：Robert E. Johnson、Paul J. Silver、Russell Becker、Nancy C. Birsner、Eric A. Bohnet、G. Maurice Briggs、Carl A. Busacca、Paul Canniff、Philip M. Carabateas、Thomas D'Ambra、Ronald L. Dundore、Jen-Sen Dung、Christopher C. Chadwick、Alan M. Ezrin、William Gorczyca、Peter G. Habeeb、Patrick Horan、Douglas S. Krafte、Gary Pelling、Bernard O'Connor、Manohar T. Saindane、Donald C. Schlegel、Gerald P. Stankus、John Swestock、Walter A. Volberg

  DOI：10.1021/jm00014a008

  日期：1995.7

  A series of 4,5-dihydro-3-[2-(methanesulfonamidophenyl)ethyl]-1H-2,4-benzodiazepines has been identified as potential antiarrhythmic agents that interact at the delayed rectifier myocardial potassium channels (I-Kr) and prolong the ventricular effective refractory period (ERP) in rabbit isolated Langendorff heart preparations. Structure-activity relationship (SAR) studies based upon prolongation of ERP indicate that placement of the sulfonamido group is important for potent activity in this model. Furthermore, methanesulfonamido has enhanced activity over its ethyl or trifluoromethyl analogs. Slightly greater activity was observed in compounds that had a heteroatom in the ethyl bridge that connects the methanesulfonamidophenyl to the benzodiazepine. Further incremental improvements in activity were noted when the 1-phenyl ring was substituted with a variety of substituents. Chirality of the compounds of interest in this series does not appear to influence activity in this model. Several of these compounds were chosen for advanced evaluation, and all possess high selectivity for blockade of potassium current in hearts relative to other ion channels. In addition, these compounds prolong cardiac refractoriness in dogs following oral dosing. Thus, these agents may represent potential new class III agents, but with the potential liability of myocardial I-Kr blockers.
• Novokreshchennykh,V.D. et al., Journal of Organic Chemistry USSR (English Translation), 1978, vol. 14, p. 505 - 512
  作者：Novokreshchennykh,V.D. et al.

  DOI：——

  日期：——