-essigsaeure | 23189-27-7

• 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: -essigsaeure
• 英文别名: 2-[(2,6-dimethylphenyl)amino]phenylacetic Acid；2-(2,6-Dimethylanilino)benzeneacetic acid；2-[2-(2,6-dimethylanilino)phenyl]acetic acid
• CAS: 23189-27-7
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: ICJTVRXTYOYEOT-UHFFFAOYSA-N

物化性质

• 熔点：
  120-127 °C (decomp)(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
• 沸点：
  412.3±33.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2,6-Xylyl)-indol-2,3-dion 在 sodium hydroxide 、 sodium methylate 、 一水合肼 作用下， 以 乙醇 、 乙二醇甲醚 、 水 为溶剂， 反应 1.17h， 生成 -essigsaeure
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationships of diclofenac analogs

  摘要：

  The synthesis of a series of 2-anilinophenylacetic acids, close analogues of diclofenac, is described. These compounds were tested in two models used for evaluating the activity of nonsteroidal antiinflammatory drugs (NSAID's), inhibition of cyclooxygenase enzyme activity in vitro, and adjuvant-induced arthritis (AdA) in rats. Statistically significant correlations were found between the inhibitory activities of the compounds in these two models, indicating that cyclooxygenase inhibition seems to be the underlying mechanism for the antiinflammatory activity of these compounds. Quantitative structure-activity relationship (QSAR) analysis revealed that the crucial parameters for activity in both models were the lipophilicity and the angle of twist between the two phenyl rings. Optimal activities were associated with halogen or alkyl substituents in both ortho positions of the anilino ring. Compounds with OH groups in addition to two ortho substituents or compounds with only one or no ortho substituents were less active.

  DOI：

  10.1021/jm00171a008

文献信息

• Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies
  申请人：Exocell, Inc.

  公开号：US06355680B1

  公开（公告）日：2002-03-12

  The present invention is directed to compositions that inhibit the nonenzymatic glycation of albumin,, as well as methods of using compounds that inhibit albumin glycation for the treatment of glycation-related pathologies.

  本发明涉及抑制白蛋白非酶促糖基化的组合物，以及利用抑制白蛋白糖基化的化合物治疗糖基化相关病理的方法。
• Hyaluronic Acid Derivative and Drug Containing the Same
  申请人：Miyamoto Kenji

  公开号：US20080221062A1

  公开（公告）日：2008-09-11

  A hyaluronic acid derivative in which an anti-inflammatory drug is bound to hyaluronic acid through a covalent bond via a spacer having a biodegradable region, and a production process thereof.

  一种透明质酸衍生物，其中通过可生物降解区域的空间连接，将抗炎药物与透明质酸通过共价键结合，以及其生产过程。
• HYALURONIC ACID DERIVATIVE AND DRUG CONTAINING THE SAME
  申请人：MIYAMOTO Kenji

  公开号：US20110083991A1

  公开（公告）日：2011-04-14

  A hyaluronic acid derivative in which an anti-inflammatory drug is bound to hyaluronic acid through a covalent bond via a spacer having a biodegradable region, and a production process thereof.

  一种透过具有可生物降解区域的间隔子将抗炎药物与透明质酸共价键结合的透明质酸衍生物及其制备过程。
• ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES
  申请人：EXOCELL, INC.

  公开号：EP1242069A2

  公开（公告）日：2002-09-25
• METHOD OF PRODUCING POLYSACCHARIDE DERIVATIVES
  申请人：Yasuda Yousuke

  公开号：US20090104678A1

  公开（公告）日：2009-04-23

  A polysaccharide derivative having a high solubility in an aqueous solvent is produced. The production method of the present invention uses a compound shown by the general formula (1) as a condensing agent and allows a polysaccharide having a carboxyl group to react with an an organic compound having a functional group capable of condensing with the carboxyl group to prepare the polysaccharide derivative: R 1 and R 2 independently represent a substituent selected among alkyl groups of 1 to 4 carbon atoms and aryl groups of 6 to 8 carbon atoms; Z − represents a counter anion; and E + represents an organic group shown as: R 3 , R 4 , and R 5 independently represent an organic group having at least one carbon atom directly bound to a quaternary nitrogen atom and any two or all of R 3 , R 4 , and R 5 may link together to form a cyclic structure.