(2,6-二氯-4-甲氧基苯基)苯胺 | 136099-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (2,6-二氯-4-甲氧基苯基)苯胺
• 英文名称: N-Phenyl-(2,6-dichloro-4-methoxy)-aniline
• 英文别名: 2,6-dichloro-4-methoxydiphenylamine；(2,6-Dichloro-4-methoxyphenyl)phenylamine；2,6-dichloro-4-methoxy-N-phenylaniline
• CAS: 136099-56-4
• 化学式: C₁₃H₁₁Cl₂NO
• 分子量: 268.142
• InChiKey: LFQDRMOMEHWBMB-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿、四氢呋喃

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,6-二氯-4-甲氧基苯基)苯胺 在 氢氧化钾 、 sodium hydroxide 、 三氯化铝 、 sodium methylate 、 吡啶盐酸盐 、 一水合肼 作用下， 以 乙醇 、 乙二醇甲醚 、 水 、 正丁醇 、 苯 为溶剂， 反应 50.17h， 生成 4’-羟基双氯芬酸
  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
• 作为产物：
  描述：

  4-溴-3,5-二氯苯甲醚 、 苯胺 在 sodium t-butanolate 、 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 作用下， 以 甲苯 为溶剂， 反应 18.5h， 生成 (2,6-二氯-4-甲氧基苯基)苯胺
  参考文献：
  名称：

  TW2020/39493

  摘要：

  公开号：

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。
• 2-Anilino phenylacetic acid derivatives
  申请人：American Home Products Corporation

  公开号：US05021576A1

  公开（公告）日：1991-06-04

  There are disclosed compounds of the formula ##STR1## wherein R is hydroxy, lower alkoxy or lower alkoxyamino; R.sup.1 is hydrogen or A(CH.sub.2).sub.n O--; R.sup.2 is hydrogen or A(CH.sub.2).sub.n O--, with the proviso that one of R.sup.1 and R.sup.2 is A(CH.sub.2).sub.n O-- and the other is hydrogen; n is 1-2; A is phenoxyethyl, phenoxyphenyl or a group having the formula ##STR2## X is --N-- or ##STR3## Z is ##STR4## R.sup.3 is hydrogen, lower alkyl or phenyl; R.sup.4 is hydrogen or lower alkyl; or R.sup.3 and R.sup.4 taken together form a benzene ring; R.sup.5 is hydrogen or lower alkyl; R.sup.6 is hydrogen, halo or lower alkyl; and the pharmacologically acceptable salts thereof, and their use in the treatment of inflammatory conditions, such as rheumatoid arthritis, ulcerative colitis, psoriasis and other immediate hypersensitivity reactions; in the treatment of leukotriene-mediated naso-bronchial obstructive air-passageway conditions, such as allergic rhinitis, allergic bronchial asthma and the like; and as gastric cytoprotective agents.

  公开了以下式子的化合物：##STR1## 其中 R是羟基，低基氧基或低基氧基氨基; R.sup.1是氢或A(CH.sub.2).sub.n O--; R.sup.2是氢或A(CH.sub.2).sub.n O--，但其中一个为A(CH.sub.2).sub.n O--，另一个为氢; n为1-2; A是苯氧乙基，苯氧苯基或具有以下式子的基团：##STR2## X为--N--或##STR3## Z为##STR4## R.sup.3是氢，低基烷基或苯基; R.sup.4是氢或低基烷基; 或R.sup.3和R.sup.4一起形成苯环; R.sup.5是氢或低基烷基; R.sup.6是氢，卤素或低基烷基; 以及其药学上可接受的盐，并用于治疗炎症疾病，如类风湿性关节炎、溃疡性结肠炎、银屑病和其他即时超敏反应; 用于治疗白三烯介导的鼻支气管阻塞性通气道疾病，如过敏性鼻炎、过敏性支气管哮喘等; 以及作为胃黏膜保护剂。
• 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0523046A1

  公开（公告）日：1993-01-20
• 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
• US5021576A
  申请人：——

  公开号：US5021576A

  公开（公告）日：1991-06-04