N-[3-chloro-4-(4-chloro-phenylamino)-phenyl]-2-hydroxy-5-nitro-benzamide | 124071-22-3

• 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-[3-chloro-4-(4-chloro-phenylamino)-phenyl]-2-hydroxy-5-nitro-benzamide
• 英文别名: N-[3-chloro-4-(4-chloroanilino)phenyl]-2-hydroxy-5-nitrobenzamide
• CAS: 124071-22-3
• 化学式: C₁₉H₁₃Cl₂N₃O₄
• 分子量: 418.236
• InChiKey: AIRFLUZYZLMDBM-UHFFFAOYSA-N

物化性质

• 沸点：
  530.3±50.0 °C(Predicted)
• 密度：
  1.557±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-[3-chloro-4-(4-chloro-phenylamino)-phenyl]-2-acetoxy-5-nitro-benzamide 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 N-[3-chloro-4-(4-chloro-phenylamino)-phenyl]-2-hydroxy-5-nitro-benzamide
  参考文献：
  名称：

  [EN] ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES
  [FR] OUVREURS DU CANAL ERG DESTINES AU TRAITEMENT DE MALADIES NEURONALES LIEES A L'HYPEREXCITABILITE

  摘要：

  本发明涉及使用ERG通道开放剂治疗与高兴奋性有关的神经疾病，以及使用特定化合物进行此类治疗。在另一个方面，本发明提供了新型化合物，可用作ERG通道开放剂。

  公开号：

  WO2005023238A1

文献信息

• [EN] ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS<br/>[FR] SUBSTANCES D'OUVERTURE DES CANAUX ERG POUR LE TRAITEMENT D'ARYTHMIES CARDIAQUES
  申请人：POSEIDON PHARMACEUTICALS AS

  公开号：WO2005023237A1

  公开（公告）日：2005-03-17

  This invention relates to the use of ERG channel openers for the treatment of cardiac arrhythmias, and to the use of specific compounds for such treatment. In a separate aspect the invention provides novel compounds useful as ERG channel openers.

  本发明涉及使用ERG通道开放剂治疗心律失常，以及使用特定化合物进行此类治疗。在另一个方面，本发明提供了用作ERG通道开放剂的新化合物。
• Erg channel openers for the treatment of cardiac arrhythmias
  申请人：Olesen Peter Soren

  公开号：US20060281794A1

  公开（公告）日：2006-12-14

  This invention relates to the use of ERG channel openers for the treatment of cardiac arrhythmias, and to the use of specific compounds for such treatment. In a separate aspect the invention provides novel compounds useful as ERG channel openers.

  本发明涉及使用ERG通道开放剂治疗心律失常，并涉及使用特定化合物进行此类治疗。在另一个方面，本发明提供了新的化合物，可用作ERG通道开放剂。
• ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS
  申请人：OLESEN Søren Peter

  公开号：US20110071164A1

  公开（公告）日：2011-03-24

  This invention relates to the use of ERG channel openers for the treatment of cardiac arrhythmias, and to the use of specific compounds for such treatment. In a separate aspect the invention provides novel compounds useful as ERG channel openers.

  本发明涉及使用ERG通道开放剂治疗心律失常，以及使用特定化合物进行此类治疗。在另一个方面，本发明提供了作为ERG通道开放剂有用的新化合物。
• ERG channel openers for the treatment of cardiac arrhythmias
  申请人：Neurosearch A/S

  公开号：US07851492B2

  公开（公告）日：2010-12-14

  This invention relates to the use of ERG channel openers for the treatment of cardiac arrhythmias, and to the use of specific compounds for such treatment. In a separate aspect the invention provides novel compounds useful as ERG channel openers.

  本发明涉及使用ERG通道开放剂治疗心律失常，并涉及使用特定化合物进行此类治疗。在另一方面，本发明提供了作为ERG通道开放剂有用的新化合物。
• Structure-activity relationships of antifilarial antimycin analogs: a multivariate pattern recognition study
  作者：David L. Selwood、David J. Livingstone、John C. W. Comley、Alan B. O'Dowd、Alan T. Hudson、Peter Jackson、Karamjit S. Jandu、Valerie S. Rose、Jeremy N. Stables

  DOI：10.1021/jm00163a023

  日期：1990.1

  The structure-activity relationships of a series of novel antifilarial antimycin A1 analogues have been investigated by using computational chemistry and multivariate statistical techniques. The physiochemical descriptors calculated in this way contained information which was useful in the classification of compounds according to their in vitro antifilarial activity. This approach generated a 53 parameter descriptor set, which was reduced with a multivariate pattern recognition package, ARTHUR. Regression analysis of the reduced set yielded several statistically significant regression equations; e.g.-log in vitro activity = 0.017 mp + 0.65 log P - 0.81ESDL10-7.33 (R = 0.9). With use of this equation, it was possible to make predictions for further untested analogues. The analysis indicated that membrane or lipid solubility is an important determinant in biological activity agreeing with the proposed primary mode of action of the compounds as disrupters of cuticular glucose uptake.