2-[(3,5-dichlorophenyl)amino]phenylacetic acid | 127792-30-7

• 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: 2-[(3,5-dichlorophenyl)amino]phenylacetic acid
• 英文别名: Benzeneacetic acid, 2-[(3,5-dichlorophenyl)amino]-；2-[2-(3,5-dichloroanilino)phenyl]acetic acid
• CAS: 127792-30-7
• 化学式: C₁₄H₁₁Cl₂NO₂
• 分子量: 296.153
• InChiKey: XQGOLOQMSOYPPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  3,5-二氯苯胺 在 氢氧化钾 、 copper(l) iodide 、 铜 、 potassium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 110.0h， 生成 2-[(3,5-dichlorophenyl)amino]phenylacetic acid
  参考文献：
  名称：

  双氯芬酸类似物作为运甲状腺素蛋白淀粉样蛋白原纤维形成抑制剂的合成，结构和活性。

  摘要：

  制备了十二种双氯芬酸（1）（一种非甾体类抗炎药和转甲状腺素蛋白（TTR）淀粉样蛋白形成的已知抑制剂）类似物，并将其评估为TTR淀粉样蛋白形成抑制剂。五个化合物表现出高活性。结构活性关系表明，羧酸是活性所必需的，但是其位置以及其他取代基的位置变化是可以容忍的。获得了与TTR结合的四种活性化合物的高分辨率X射线晶体结构。这些证明了TTR可以在其两个结合位点内容纳配体的显着灵活性。

  DOI：

  10.1021/jm010257n

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：——

  公开号：US20010034359A1

  公开（公告）日：2001-10-25

  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，并使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。
• PHARMACEUTICAL COMPOSITION AND METHOD
  申请人：Slade Rachel M.

  公开号：US20090155903A1

  公开（公告）日：2009-06-18

  The invention provides compounds, pharmaceutical compositions and methods for the therapeutic treatment and prevention of neurodegenerative disorder and other Aβ 42 -related diseases and disorders.

  该发明提供了化合物、制药组合物和方法，用于治疗和预防神经退行性疾病和其他与Aβ42相关的疾病和障碍。
• [EN] (AZA)BENZOTHIAZOLYL SUBSTITUTED PYRAZOLE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRAZOLE SUBSTITUÉS PAR (AZA)BENZOTHIAZOLYLE
  申请人：PFIZER

  公开号：WO2022112919A1

  公开（公告）日：2022-06-02

  This application includes a compound of Formula I or a pharmaceutically acceptable salt thereof; wherein the variables R1a, R1b, R2, R3, X, Y and Z are as defined herein, pharmaceutical compositions comprising the compounds of Formula I and methods of treatment comprising administering to a patient in need thereof a compound of Formula I for the treatment of transthyretin amyloidosis and diseases related thereto.

  该应用程序包括化合物I的复合物或其药学上可接受的盐；其中变量R1a，R1b，R2，R3，X，Y和Z如此定义，在此定义中包括化合物I的药物组成和治疗方法，包括向需要治疗转甲状腺素淀粉样变和相关疾病的患者给予化合物I的治疗。
• Synthesis and quantitative structure-activity relationships of diclofenac analogs
  作者：Peter Moser、Alfred Sallmann、Irmgard Wiesenberg

  DOI：10.1021/jm00171a008

  日期：1990.9

  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.
• MOSER, PETER;SALLMANN, ALFRED;WIESENBERG, IRMGARD, J. MED. CHEM. , 33,(1990) N, C. 2358-2368
  作者：MOSER, PETER、SALLMANN, ALFRED、WIESENBERG, IRMGARD

  DOI：——

  日期：——