2-Methoxy-5-<(N-methyl-N-methanesulfonyl)amino>benzoic acid | 90763-15-8

• 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-5-<(N-methyl-N-methanesulfonyl)amino>benzoic acid
• 英文别名: 2-Methoxy-5-[methyl(methylsulfonyl)amino]benzoic acid
• CAS: 90763-15-8
• 化学式: C₁₀H₁₃NO₅S
• 分子量: 259.283
• InChiKey: YSZRCYNWVGWEPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  92.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Methoxy-5-<(N-methyl-N-methanesulfonyl)amino>benzoic acid 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-(N-methylmethanesulfonamido)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：

  5-(Methanesulfonyl-methyl-amino)-2-methoxy-benzoic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 2-Methoxy-5-<(N-methyl-N-methanesulfonyl)amino>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

文献信息

• Iusco; Boido; Sparatore, Il Farmaco, 1996, vol. 51, # 3, p. 159 - 174
  作者：Iusco、Boido、Sparatore

  DOI：——

  日期：——
• Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides
  作者：Masaru Ogata、Hiroshi Matsumoto、Shiro Kida、Teruo Shiomi、Masami Eigyo、Katsumi Hirose

  DOI：10.1021/jm00375a009

  日期：1984.9

  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.