4-(3,3-difluorocyclobutoxy)-5-methanesulfonyl-2-methylbenzoic acid methyl ester | 637031-90-4

• 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: 4-(3,3-difluorocyclobutoxy)-5-methanesulfonyl-2-methylbenzoic acid methyl ester
• 英文别名: Methyl 4-(3,3-difluorocyclobutoxy)-5-methanesulfonyl-2-methylbenzoate；methyl 4-(3,3-difluorocyclobutyl)oxy-2-methyl-5-methylsulfonylbenzoate
• CAS: 637031-90-4
• 化学式: C₁₄H₁₆F₂O₅S
• 分子量: 334.341
• InChiKey: RNQJGJXGSYXOQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  盐酸胍 、 4-(3,3-difluorocyclobutoxy)-5-methanesulfonyl-2-methylbenzoic acid methyl ester 在 potassium tert-butylate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 24.0h， 生成 N-[4-(3,3-difluorocyclobutoxy)-5-methanesulfonyl-2-methylbenzoyl]-guanidine
  参考文献：
  名称：

  [DE] FLUORIERTE CYCLOALKYL-DERIVATISIERTE BENZOYLGUANIDINE UND IHRE VERWENDUNG ALS MEDIKAMENT
  [EN] FLUORINATED CYCLOALKYL-DERIVATISED BENZOYLGUANIDINES AND THEIR USE AS A MEDICAMENT
  [FR] BENZOYLGUANIDINES FLUOREES A DERIVATISATION CYCLOALKYLE ET LEUR UTILISATION COMME MEDICAMENT

  摘要：

  Fluorinated cycloalkyl-derivatized benzoylguanidines of formula (I) are suitable as antiarrhythmic drugs with a cardioprotective component for infarct prophylaxis and treatment, as well as for the treatment of angina pectoris. They also preventively inhibit the pathophysiological processes involved in ischemia-induced damage, particularly in the onset of ischemia-induced cardiac arrhythmias and heart failure.

  公开号：

  WO2003106410A1
• 作为产物：
  描述：

  3,3-二氟环丁醇 、 4-氟-2-甲基-5-甲基磺酰基苯甲酸甲酯 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 4.0h， 生成 4-(3,3-difluorocyclobutoxy)-5-methanesulfonyl-2-methylbenzoic acid methyl ester
  参考文献：
  名称：

  [DE] FLUORIERTE CYCLOALKYL-DERIVATISIERTE BENZOYLGUANIDINE UND IHRE VERWENDUNG ALS MEDIKAMENT
  [EN] FLUORINATED CYCLOALKYL-DERIVATISED BENZOYLGUANIDINES AND THEIR USE AS A MEDICAMENT
  [FR] BENZOYLGUANIDINES FLUOREES A DERIVATISATION CYCLOALKYLE ET LEUR UTILISATION COMME MEDICAMENT

  摘要：

  Fluorinated cycloalkyl-derivatized benzoylguanidines of formula (I) are suitable as antiarrhythmic drugs with a cardioprotective component for infarct prophylaxis and treatment, as well as for the treatment of angina pectoris. They also preventively inhibit the pathophysiological processes involved in ischemia-induced damage, particularly in the onset of ischemia-induced cardiac arrhythmias and heart failure.

  公开号：

  WO2003106410A1

文献信息

• Fluorinated cycloalkyl-derivatized benzoylguanidines, process for their preparation, their uses as medicament, and medicament containing them
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040048930A1

  公开（公告）日：2004-03-11

  Fluorinated cycloalkyl-derivatized benzoylguanidines of formula I 1 are suitable as antiarrhythmic medicaments with a cardioprotective component for infarction prophylaxis and infarction treatment and for the treatment of angina pectoris. They also preventively inhibit the pathophysiological processes associated with the development of ischemia-induced damage, in particular in the triggering of ischemia-induced cardiac arrhythmias and of heart failure.

  公式I1的氟代环烷基取代苯甲酰胍类化合物适用于作为心律失常药物，具有心脏保护成分，用于预防心肌梗死和治疗心肌梗死，以及治疗心绞痛。它们还可以预防性地抑制与缺血引起的损伤发展相关的病理生理过程，特别是在缺血引起的心脏心律失常和心力衰竭的触发中。
• US6878748B2
  申请人：——

  公开号：US6878748B2

  公开（公告）日：2005-04-12
• [DE] FLUORIERTE CYCLOALKYL-DERIVATISIERTE BENZOYLGUANIDINE UND IHRE VERWENDUNG ALS MEDIKAMENT<br/>[EN] FLUORINATED CYCLOALKYL-DERIVATISED BENZOYLGUANIDINES AND THEIR USE AS A MEDICAMENT<br/>[FR] BENZOYLGUANIDINES FLUOREES A DERIVATISATION CYCLOALKYLE ET LEUR UTILISATION COMME MEDICAMENT
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2003106410A1

  公开（公告）日：2003-12-24

  Fluorierte Cycloalkyl-derivatisierte Benzoylguanidine der Formel (I) sind als antiarrhythmische Arzneimittel mit cardioprotektiver Komponente zur Infarktprophylaxe und der Infarktbehandlung sowie zur Behandlung der angina pectoris geeignet. Sie inhibieren auch präventiv die pathophysiologischen Vorgänge beim Entstehen ischämisch induzierter Schäden, insbesondere bei der Auslösung ischämisch induzierter Herzarrhythmien und der Herzinsuffizienz.

  Fluorinated cycloalkyl-derivatized benzoylguanidines of formula (I) are suitable as antiarrhythmic drugs with a cardioprotective component for infarct prophylaxis and treatment, as well as for the treatment of angina pectoris. They also preventively inhibit the pathophysiological processes involved in ischemia-induced damage, particularly in the onset of ischemia-induced cardiac arrhythmias and heart failure.