2-[(Aminosulfonyl)oxy]benzoic acid | 115438-18-1

• 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-[(Aminosulfonyl)oxy]benzoic acid
• 英文别名: 2-(Sulfamoyloxy)benzoic acid；2-sulfamoyloxybenzoic acid
• CAS: 115438-18-1
• 化学式: C₇H₇NO₅S
• mdl: MFCD24390420
• 分子量: 217.202
• InChiKey: QTSWEUQHTHVJLT-UHFFFAOYSA-N

物化性质

• 沸点：
  444.4±47.0 °C(Predicted)
• 密度：
  1.618±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methylsulfonylmethyl 2-sulfamoyloxybenzoate 在 phosphate buffer 、 rabbit plasma 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 2-[(Aminosulfonyl)oxy]benzoic acid
  参考文献：
  名称：

  Enzymatic Deprotection of Methylthiomethyl Esters: Synthesis of O-(Carbamoyl) and O-(Sulfamoyl)salicylic Acids

  摘要：

  An enzymatic selective deprotection of methylthiomethyl esters via their sulfone derivatives in presence of labile carbamoyloxy as well as sulfamoyloxy functionalities lead to the formation of O-(carbamoyl) and O-(sulfamoyl)salicylic acids respectively.

  DOI：

  10.1080/00397919108021048

文献信息

• Methods for ligand discovery
  申请人：——

  公开号：US20020155505A1

  公开（公告）日：2002-10-24

  The present invention provides novel methods for ligand discovery. The inventive methods rely on a process termed “tethering” where potential ligands are covalently bonded or “tethered” to a target and subsequently identified.

  本发明提供了一种新型的配体发现方法。这种创新的方法依赖于一种被称为“系链”的过程，在这个过程中，潜在的配体与靶标共价结合或“系链”，然后被识别出来。
• Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants
  申请人：A. H. Robins Co., Inc.

  公开号：US05025031A1

  公开（公告）日：1991-06-18

  Herein disclosed is a method of treating convulsions with a pharmaceutical composition containing a compound of the formula: (HO).sub.p --A--[OSO.sub.2 NR.sup.1 R.sup.2 ].sub.z where A is an aryl, arylalkyl, or aryloxyalkyl group and is substituted on 1 or more carbon atoms with a sulfamate group (--OSO.sub.2 NR.sup.1 R.sup.2) wherein R.sup.1 and R.sup.2, same or different, are hydrogen or loweralkyl wherein p is 0 or 1 and is the number of untreated hydroxyl groups and z is 1 or 2 and is the number of --OS(O.sub.2)NR.sup.1 R.sup.2 groups. Aryl is selected from phenyl, substituted phenyl, pyridinyl, naphthyl, quinolinyl, and the like. Phenyl substituents are selected from hydrogen, halo, hydroxy, phenyl, phenoxy, benzoyl, loweralkyl, loweralkoxy, carboxy, amino, loweralkylamino, diloweralkylamino, acetamido, cyano, nitro, loweralkoxycarboyl, aminosulfonyl, imidazolyl, triazolyl, and the like. Novel compounds not previously disclosed are also described.

  本文揭示了一种使用含有以下化合物的药物组合物治疗惊厥的方法：(HO).sub.p --A--[OSO.sub.2 NR.sup.1 R.sup.2 ].sub.z其中，A是芳基，芳基烷基或芳氧基烷基基团，并在1个或多个碳原子上用磺酰胺基(--OSO.sub.2 NR.sup.1 R.sup.2)取代，其中R.sup.1和R.sup.2相同或不同，是氢或较低烷基，其中p为0或1，是未处理的羟基数目，z为1或2，是--OS(O.sub.2)NR.sup.1 R.sup.2基团的数目。芳基选自苯基，取代苯基，吡啶基，萘基，喹啉基等。苯基取代基选自氢，卤素，羟基，苯基，苯氧基，苯甲酰基，较低烷基，较低烷氧基，羧基，氨基，较低烷基氨基，二较低烷基氨基，乙酰胺基，氰基，硝基，较低烷氧羰基，氨基磺酰基，咪唑基，三唑基等。还描述了以前未披露的新化合物。
• Compounds having one or more aminosulfonyloxy radicals useful as pharmaceuticals
  申请人：A.H. ROBINS COMPANY, INCORPORATED

  公开号：EP0403185A2

  公开（公告）日：1990-12-19

  The invention concerns known and novel compounds which fall under the general formula: wherein A encompasses a wide range of values including but not limited to aryl, loweralkyl, cycloalkyl, and carbohydrates including sucrose and fructose; p is equal to the number of hydroxy groups on A and may be zero; z is the number of -OS(O)2NR1R2 groups and is always at least one; R1 and R2 are selected from hydrogen, loweralkyl, carboxy and the like; which compounds are useful for treating chronic arthritis and osteoporosis. A novel process for preparing the compounds is provided wherein an appropriate sulfamic acid aryl ester is reacted with a a hydroxy substituted A radical which may or may not contain thereon protected carboxyl, amino or hydroxy substituents, in an aprotic solvent containing a tertiary amine base. Pharmaceutical compositions for the treatment of chronic arthritis and osteoporosis are also provided.

  本发明涉及属于通式的已知和新型化合物： 其中，A 的数值范围很广，包括但不限于芳基、低级烷基、环烷基以及包括蔗糖和果糖在内的碳水化合物；p 等于 A 上羟基的数目，可以是零；z 是 -OS(O)2NR1R2 基团的数目，总是至少一个；R1 和 R2 选自氢、低级烷基、羧基等；这些化合物可用于治疗慢性关节炎和骨质疏松症。本发明提供了一种制备这些化合物的新工艺，即在含有叔胺基的钝溶剂中，将适当的氨基磺酸芳基酯与羟基取代的 A 基反应，A 基上可以含有或不含有受保护的羧基、氨基或羟基取代基。此外，还提供了用于治疗慢性关节炎和骨质疏松症的药物组合物。
• Novel ligands and libraries of ligands
  申请人：——

  公开号：US20030013125A1

  公开（公告）日：2003-01-16

  The present invention provides compounds and libraries of compounds having formula (I): 1 wherein L, n, S and A are defined generally and subsets herein. These compounds and libraries of compounds are useful generally in the drug discovery process.

  本发明提供了具有式(I)的化合物和化合物库： 1 其中 L、n、S 和 A 在本文中给出了一般定义和子集定义。这些化合物和化合物库一般用于药物发现过程。
• KAMAL, AHMED, SYNTH. COMMUN., 21,(1991) N0-11, C. 1293-1299
  作者：KAMAL, AHMED

  DOI：——

  日期：——