5-(butylsulfonyl)salicylic acid | 80955-64-2

• 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: 5-(butylsulfonyl)salicylic acid
• 英文别名: 5-Butylsulfonyl-2-hydroxybenzoic acid
• CAS: 80955-64-2
• 化学式: C₁₁H₁₄O₅S
• 分子量: 258.295
• InChiKey: JZUKGAMSUINLTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(butylsulfonyl)salicylic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 N-(4-bromophenyl)-5-butylsulfonyl-2-hydroxybenzamide
  参考文献：
  名称：

  5-(Alkylsulfonyl)salicylanilides as potential dental antiplaque agents

  摘要：

  A series of 22 5-(alkylsulfonyl)salicylanilides was synthesized and evaluated for in vitro antibacterial and antiplaque activity against Actinomyces viscosus and Streptococcus mutans, adherent microorganisms implicated in periodontal disease and dental caries. The minimum inhibitory concentrations of 25 salicylanilides (including 5-acyl-, 5-alkyl-, and 5-(alkylsulfonyl)-4'-bromo- and -4'-(trifluoromethyl)salicylanilides) were found to correlate (r = 0.94) with estimated log D values. Several salicylanilides, such as 5-(decylsulfonyl)- and 5-(dodecylsulfonyl)-4'-(trifluoromethyl)salicylanilides (15 and 19) were found to exhibit high levels of in vitro antibacterial and antiplaque activity against A. viscosus and S. mutans.

  DOI：

  10.1021/jm00151a004
• 作为产物：
  描述：

  5-氯磺酰基-2-羟基苯甲酸 在 sodium hydroxide 、 sodium carbonate 、 sodium sulfite 作用下， 以 水 为溶剂， 反应 72.0h， 生成 5-(butylsulfonyl)salicylic acid
  参考文献：
  名称：

  5-(Alkylsulfonyl)salicylanilides as potential dental antiplaque agents

  摘要：

  A series of 22 5-(alkylsulfonyl)salicylanilides was synthesized and evaluated for in vitro antibacterial and antiplaque activity against Actinomyces viscosus and Streptococcus mutans, adherent microorganisms implicated in periodontal disease and dental caries. The minimum inhibitory concentrations of 25 salicylanilides (including 5-acyl-, 5-alkyl-, and 5-(alkylsulfonyl)-4'-bromo- and -4'-(trifluoromethyl)salicylanilides) were found to correlate (r = 0.94) with estimated log D values. Several salicylanilides, such as 5-(decylsulfonyl)- and 5-(dodecylsulfonyl)-4'-(trifluoromethyl)salicylanilides (15 and 19) were found to exhibit high levels of in vitro antibacterial and antiplaque activity against A. viscosus and S. mutans.

  DOI：

  10.1021/jm00151a004

文献信息

• Fingerprinting compositions, systems and methods
  申请人：Vassiliades, Anthony E.

  公开号：EP0330770A1

  公开（公告）日：1989-09-06

  A self-contained liquid composition for use in making fingerprints, comprising the reaction product of at least one leuco or non-leuco chromogenic compound and at least one colour-developing substance in a liquid vehicle that is a solvent for the chromogenic compound and reaction product and a solvent or dispersant for the colour-developing substance.

  一种用于制作指纹的独立液体组合物，它包含至少一种发色或非发色化合物和至少一种显色物质在液体载体中的反应产物，液体载体是发色化合物和反应产物的溶剂，也是显色物质的溶剂或分散剂。
• CLARK, M. T.;COBURN, R. A.;EVANS, R. T.;GENCO, R. J., J. MED. CHEM., 1986, 29, N 1, 25-29
  作者：CLARK, M. T.、COBURN, R. A.、EVANS, R. T.、GENCO, R. J.

  DOI：——

  日期：——
• US4879134A
  申请人：——

  公开号：US4879134A

  公开（公告）日：1989-11-07
• US5009919A
  申请人：——

  公开号：US5009919A

  公开（公告）日：1991-04-23
• 5-(Alkylsulfonyl)salicylanilides as potential dental antiplaque agents
  作者：Michael T. Clark、Robert A. Coburn、Richard T. Evans、Robert J. Genco

  DOI：10.1021/jm00151a004

  日期：1986.1

  A series of 22 5-(alkylsulfonyl)salicylanilides was synthesized and evaluated for in vitro antibacterial and antiplaque activity against Actinomyces viscosus and Streptococcus mutans, adherent microorganisms implicated in periodontal disease and dental caries. The minimum inhibitory concentrations of 25 salicylanilides (including 5-acyl-, 5-alkyl-, and 5-(alkylsulfonyl)-4'-bromo- and -4'-(trifluoromethyl)salicylanilides) were found to correlate (r = 0.94) with estimated log D values. Several salicylanilides, such as 5-(decylsulfonyl)- and 5-(dodecylsulfonyl)-4'-(trifluoromethyl)salicylanilides (15 and 19) were found to exhibit high levels of in vitro antibacterial and antiplaque activity against A. viscosus and S. mutans.