4-chloro-3-(N,N-dimethylsulfamoyl)benzoic acid | 59210-61-6

• 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: 4-chloro-3-(N,N-dimethylsulfamoyl)benzoic acid
• 英文别名: 4-Chlor-3-(N,N-dimethylsulfamoyl)benzoesaeure；4-chloro-3-dimethylsulfamoylbenzoic acid；4-chloro-3-(dimethylsulfamoyl)benzoic Acid
• CAS: 59210-61-6
• 化学式: C₉H₁₀ClNO₄S
• mdl: MFCD02675789
• 分子量: 263.702
• InChiKey: YMPQIPORTHDIJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-chloro-3-(N,N-dimethylsulfamoyl)benzoic acid 生成 4-Chloro-3-dimethylsulfamoylbenzoyl chloride
  参考文献：
  名称：

  Thiazolidine derivatives

  摘要：

  本发明涉及在4位具有羟基和3'-磺酰氨基-苯基取代基，在2位具有亚氨基，在1位具有脂肪族或环脂肪族取代基的噻唑烷衍生物。所述噻唑烷具有利尿活性。本发明还涉及制造所述化合物的方法。

  公开号：

  US04061761A1
• 作为产物：
  描述：

  对氯苯甲酸 在 氯磺酸 作用下， 以 四氢呋喃 为溶剂， 生成 4-chloro-3-(N,N-dimethylsulfamoyl)benzoic acid
  参考文献：
  名称：

  Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors

  摘要：

  Glutathione transferase omega-1 (GSTO1-1) is an enzyme whose function supports the activation of interleukin (IL)-1 beta and IL-18 that are implicated in a variety of inflammatory disease states for which small-molecule inhibitors are sought. The potent reactivity of the active-site cysteine has resulted in reported inhibitors that act by covalent labeling. In this study, structure-activity relationship (SAR) elaboration of the reported GSTO1-1 inhibitor C1-27 was undertaken. Compounds were evaluated for inhibitory activity toward purified recombinant GSTO1-1 and for indicators of target engagement in cell-based assays. As covalent inhibitors, the k(inact)/K-I values of selected compounds were determined, as well as in vivo pharmacokinetics analysis. Cocrystal structures of key novel compounds in complex with GSTO1-1 were also solved. This study represents the first application of a biochemical assay for GSTO1-1 to determine k(inact)/K-I values for tested inhibitors and the most extensive set of cell-based data for a GSTO1-1 inhibitor SAR series reported to date. Our research culminated in the discovery of 25, which we propose as the preferred biochemical tool to interrogate cellular responses to GSTO1-1 inhibition.

  DOI：

  10.1021/acs.jmedchem.9b01391

文献信息

• Basically substituted 3-sulfamoylbenzoic acid derivatives and process
  申请人：Hoechst Aktiengesellschaft

  公开号：US04029787A1

  公开（公告）日：1977-06-14

  Antihypertensively-active 3-sulfamoyl-4-piperazinyl-benzoic acids, optionally substituted in the 2-position by halogen or alkyl, and the esters, amides, and nitriles of these acids are disclosed, as is a method for making these compounds by the reaction of the corresponding 4-halogeno- or 4-alkyl-(or 4-aryl-) sulfonyloxy-benzoic acids (or their esters etc.) with piperazines.

  公开了具有抗高血压活性的3-磺酰胺基-4-哌嗪基苯甲酸及其在2位可选地被卤素或烷基取代的衍生物，以及这些酸的酯、酰胺和腈。还公开了一种通过将相应的4-卤代或4-烷基（或4-芳基）磺酰氧基苯甲酸（或其酯等）与哌嗪反应来制备这些化合物的方法。
• DE2436263
  申请人：——

  公开号：——

  公开（公告）日：——
• MOHAMED Y. A.; AMMAR Y. A.; EL-SHARIEF A. A. SH.; HUSSEIN M. E.; ZAHRAN M+, ACTA PHARM. JUGOSL., 36,(1986) N 3, 301-310
  作者：MOHAMED Y. A.、 AMMAR Y. A.、 EL-SHARIEF A. A. SH.、 HUSSEIN M. E.、 ZAHRAN M+

  DOI：——

  日期：——
• SH EL-SHARIEF A. A.; MOHAMD Y. A.; AMMAR Y. A.; HUSSIN M. E.; ZAHRAN M. A+, PROC. INDIAN NAT. SCI. ACAD., 53,(1987) N 1, 179-188
  作者：SH EL-SHARIEF A. A.、 MOHAMD Y. A.、 AMMAR Y. A.、 HUSSIN M. E.、 ZAHRAN M. A+

  DOI：——

  日期：——
• US4029787A
  申请人：——

  公开号：US4029787A

  公开（公告）日：1977-06-14