2-(3-氨基苯磺酰基氨基)-苯甲酸 | 55990-13-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3-氨基苯磺酰基氨基)-苯甲酸
• 英文名称: N-(3-amino-benzenesulfonyl)-anthranilic acid
• 英文别名: N-(3-Amino-benzolsulfonyl)-anthranilsaeure；2-(3-Amino-benzenesulfonylamino)-benzoic acid；2-[(3-aminophenyl)sulfonylamino]benzoic acid
• CAS: 55990-13-1
• 化学式: C₁₃H₁₂N₂O₄S
• mdl: MFCD02704635
• 分子量: 292.315
• InChiKey: GLOSXPMJTFDWRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2-(3-氨基苯磺酰基氨基)-苯甲酸 、 硫代水杨酸甲酯 在 三甲基铝 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-((3-(2-mercaptobenzamido)phenyl)sulfonamido)benzoic acid
  参考文献：
  名称：

  Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1

  摘要：

  We report the discovery and characterization of a series of benzoisothiazolone inhibitors of PHOSPHO1, a newly identified soluble phosphatase implicated in skeletal mineralization and soft tissue ossification abnormalities. High-throughput screening (HTS) of a small molecule library led to the identification of benzoisothiazolones as potent and selective inhibitors of PHOSPHO1. Critical structural requirements for activity were determined, and the compounds were subsequently derivatized and measured for in vitro activity and ADME parameters including metabolic stability and permeability. On the basis of its overall profile the benzoisothiazolone analogue 2q was selected as MLPCN probe ML086.

  DOI：

  10.1016/j.bmcl.2014.07.013
• 作为产物：
  描述：

  3-硝基苯磺酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-(3-氨基苯磺酰基氨基)-苯甲酸
  参考文献：
  名称：

  Sulfanilamide Derivatives. I. Aminoarylsulfonamidoarylsulfonic Acids and Aminoarylsulfonamidoarylcarboxylic Acids^*

  摘要：

  DOI：

  10.1021/ja01276a054

文献信息

• Solvent free aqueous polyurethane dispersions and methods of making and using the same
  申请人：Air Products and Chemicals, Inc.

  公开号：EP2332998A1

  公开（公告）日：2011-06-15

  Substantially solvent-free aqueous polyurethane dispersions and methods of making and using the same are provided. The substantially solvent-free aqueous polyurethane dispersions are provided in a substantially solvent-free system of a prepolymer made by reacting at least one polyol, at least one polyisocyanate, at least one isocyanate-reactive compound comprising one or more ionic or potential ionic groups, and at least one isocyanate chain terminating agent.

  提供了基本无溶剂的水性聚氨酯分散体及其制造和使用方法。基本无溶剂的水性聚氨酯分散体是在基本无溶剂的预聚物体系中提供的，该预聚物是由至少一种多元醇、至少一种多异氰酸酯、至少一种包含一个或多个离子或潜在离子基团的异氰酸酯反应化合物和至少一种异氰酸酯链终止剂反应而成。
• Solvent Free Aqueous Polyurethane Dispersions and Methods of Making and Using the Same
  申请人：Campbell Keith Douglas

  公开号：US20110306724A1

  公开（公告）日：2011-12-15

  Substantially solvent-free aqueous polyurethane dispersions and methods of making and using the same are provided. The substantially solvent-free aqueous polyurethane dispersions are provided in a substantially solvent-free system of a prepolymer made by reacting at least one polyol, at least one polyisocyanate, at least one isocyanate-reactive compound comprising one or more ionic or potential ionic groups, and at least one isocyanate chain terminating agent.
• US3970601A
  申请人：——

  公开号：US3970601A

  公开（公告）日：1976-07-20
• US4147680A
  申请人：——

  公开号：US4147680A

  公开（公告）日：1979-04-03
• US4197219A
  申请人：——

  公开号：US4197219A

  公开（公告）日：1980-04-08