3-chloro-N-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide | 91112-13-9

• 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: 3-chloro-N-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
• CAS: 91112-13-9
• 化学式: C₂₄H₃₀ClN₃O₂
• 分子量: 427.974
• InChiKey: RPYZNFWCUSKOEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  593.5±50.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-羟基苄胺 在 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 9.0h， 生成 3-chloro-N-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
  参考文献：
  名称：

  Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 2. Amides

  摘要：

  Thirty amides patterned after the antiarrhythmic drug changrolin were synthesized and their antiarrhythmic and parasympatholytic activities were assessed. There was no correlation between antiarrhythmic and parasympatholytic activities. Several of the amides were found to be potent antiarrhythmic agents that possessed low parasympatholytic activity. All of the compounds appear to act by a class I mechanism.

  DOI：

  10.1021/jm00376a022

文献信息

• ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：EP0113778A1

  公开（公告）日：1984-07-25
• EP0113778A4
  申请人：——

  公开号：EP0113778A4

  公开（公告）日：1985-06-06
• [EN] ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS
  申请人：——

  公开号：WO1984000545A1

  公开（公告）日：1984-02-16

  (EN) New compounds of the formula (I), where X is $(6,)$, alkylene, or -S- where R1 is hydrogen, alkyl, or aryl; W is hydrogen, hydroxy, amino, alkyloxy, aryloxy, O-alkyl, or 0-aralkyl; (Y)A is -CH2NR2R3 where R2 and R3 may be hydrogen, substituted alkyls, aryls, or together with N form a 5 to 7 membered heterocyclic group; and Ar is a substituted or unsubstituted aryl. These compounds are useful in the treatment of various cardiac arrhythmias. (FR) Nouveaux composés correspondant à la formule (I) où X est $(6,)$, alkylène ou -C-, où R1 est un hydrogène, un alkyl ou un aryl; W est un hydrogène, un hydroxy, un amino, un alkyloxy, un aryloxy, un O-alkyl ou un O-aralkyl; (Y)A est -CH2NR2R3 où R2 et R3 peuvent être de l'hydrogène, des alkyls substitués, des aryls ou peuvent former avec N un groupe hétérocyclique de 5 à 7 membres; Ar est un aryl substitué ou non substitué. Ces composés sont utiles dans le traitement de différentes arythmies cardiaques.
• Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 2. Amides
  作者：David M. Stout、W. L. Matier、Cynthia Barcelon-Yang、Robert D. Reynolds、Barry S. Brown

  DOI：10.1021/jm00376a022

  日期：1984.10

  Thirty amides patterned after the antiarrhythmic drug changrolin were synthesized and their antiarrhythmic and parasympatholytic activities were assessed. There was no correlation between antiarrhythmic and parasympatholytic activities. Several of the amides were found to be potent antiarrhythmic agents that possessed low parasympatholytic activity. All of the compounds appear to act by a class I mechanism.