2-(N-acetylsulfamoyl)benzoic acid

• 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-(N-acetylsulfamoyl)benzoic acid
• 英文别名: 2-(acetylsulfamoyl)benzoic Acid
• 化学式: C₉H₉NO₅S
• 分子量: 243.24
• InChiKey: ADVANFQVCYCSNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  邻,对甲苯磺酰胺 在 吡啶 、 4-二甲氨基吡啶 、 sodium hydroxide 、 potassium permanganate 作用下， 以 水 为溶剂， 反应 12.0h， 生成 2-(N-acetylsulfamoyl)benzoic acid
  参考文献：
  名称：

  N-乙酰基-2-羧基苯磺酰胺的设计，合成和生物学评估：一类新型的环氧合酶2（COX-2）抑制剂。

  摘要：

  N-乙酰基-2-羧基苯磺酰胺（11）和一组具有适当取代的苯基取代基的类似物（4-F，2,4-F（2），4-SO（2）Me，4-OCHMe（2 ））合成附着在其C-4或C-5位置的化合物，作为选择性的环氧合酶2（COX-2）抑制剂进行评估。体外COX-1 / COX-2抑制研究表明，与阿司匹林（COX-1 IC（ 50）= 0.35microM； COX-2 IC（50）= 2.4microM），与阿司匹林一样[COX-2选择性指数（SI）= 0.14]，11是非选择性COX-2抑制剂（COX-2 SI = 0.23） 。具有连接到C-4的2,4-二氟苯基取代基的区域异构体（COX-2 IC（50）= 0.087microM; COX-2 SI> 1149）或C-5（COX-2 IC（50）= 0.77microM ，SI> 130），相对于参考药物塞来昔布（11）的位置表现出最有效和选择性的COX-2抑制活性（COX-1

  DOI：

  10.1016/j.bmc.2005.01.039

文献信息

• [EN] ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS D'ACYLPIPÉRAZINE À TITRE DE BLOQUEURS DE TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2012020567A1

  公开（公告）日：2012-02-16

  The present invention relates to acyl piperazine derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰基哌嗪衍生物，具有阻断电压门控钠通道（如TTX-S通道）活性的特性，可用于治疗或预防涉及电压门控钠通道的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物。
• Acyl Piperazine Derivatives as TTX-S Blockers
  申请人：Morita Mikiko

  公开号：US20130150356A1

  公开（公告）日：2013-06-13

  The present invention relates to acyl piperazine derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰基哌嗪衍生物，具有阻断电压门控钠通道（TTX-S通道）的活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病方面非常有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物的用途。
• ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS
  申请人：Yamagishi Tatsuya

  公开号：US20120232052A1

  公开（公告）日：2012-09-13

  The present invention relates to aryl carboxamide derivatives of formula (I), wherein Ar 1 is phenyl; Ar 2 is aryl; n is 1-4; X is —O—, —S—, —SO— or —SO 2 —, a prodrug thereof or a pharmaceutically acceptable salt thereof, which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of such disorders and diseases as pain in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases as pain in which voltage gated sodium channels are involved.

  本发明涉及公式（I）的芳基羧酰胺衍生物，其中Ar1是苯基；Ar2是芳基；n为1-4；X为—O—、—S—、—SO—或—SO2—，其前体药物或其药学上可接受的盐，具有阻断电压门控钠通道如TTX-S通道的活性，并在治疗或预防涉及电压门控钠通道的疾病和疾病，如疼痛方面中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病和疾病，如疼痛方面的使用。
• Transformation rates of<i>ortho</i>-substituted thiophene and benzene carboxylic esters: Application to thifensulfuron-methyl and metsulfuron-methyl herbicides
  作者：Jean Bastide、Robert Badon、Jean-Pierre Cambon、Danielle Vega

  DOI：10.1002/ps.2780400407

  日期：1994.4

  AbstractThe rate constants for soil degradation and alkaline hydrolysis of two herbicides, metsulfuron‐methyl and thifensulfuron‐methyl, have been determined. In order to explain the difference in behaviour of the two compounds, the chemical and enzymatic hydrolysis of some ortho‐substituted methyl benzoates and methyl 3‐substituted thiophene‐2‐carboxylates were studied. The data are consistent with a difference in polar and steric effects of the substituents in benzene and thiophene derivatives.
• US8999974B2
  申请人：——

  公开号：US8999974B2

  公开（公告）日：2015-04-07