2-methoxy-4-methyl-5-<(dimethylsulfamoyl)methylamino>benzoic acid | 90763-25-0

• 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: 2-methoxy-4-methyl-5-<(dimethylsulfamoyl)methylamino>benzoic acid
• 英文别名: 2-methoxy-4-methyl-5-[(dimethylsulfamoyl)methylamino]benzoic acid
• CAS: 90763-25-0
• 化学式: C₁₂H₁₈N₂O₅S
• 分子量: 302.351
• InChiKey: FCFKUNCVQXXOJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  87.15
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-methoxy-4-methyl-5-<(dimethylsulfamoyl)methylamino>benzoic acid 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-<(1-ethyl-2-pyrrolidinyl)methyl>-2-methoxy-4-methyl-5-<(dimethylsulfamoyl)methylamino>benzamide
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009
• 作为产物：
  描述：

  2-methoxy-4-methyl-5-nitrobenzoic acid 在 platinum(IV) oxide 吡啶 、 sodium hydroxide 、 氯化亚砜 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 2.55h， 生成 2-methoxy-4-methyl-5-<(dimethylsulfamoyl)methylamino>benzoic acid
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009