N-Phenyl-2.6-dichlor-3-methyl-anilin | 1618-57-1

• 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: N-Phenyl-2.6-dichlor-3-methyl-anilin
• 英文别名: N-Phenyl-2.6-dichlor-m-toluidin；(2',6'-dichloro-3'-methyl)diphenylamine；2-[(2,6-dichloro-3-methylphenyl)amino]-benzene；2,6-dichloro-3-methyl-N-phenylaniline
• CAS: 1618-57-1
• 化学式: C₁₃H₁₁Cl₂N
• 分子量: 252.143
• InChiKey: SLPAPGNFCSVQKP-UHFFFAOYSA-N

物化性质

• 熔点：
  76-78 °C
• 沸点：
  115-120 °C(Press: 0.001 Torr)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-Phenyl-2.6-dichlor-3-methyl-anilin 在 sodium hydroxide 、 三氯化铝 作用下， 以 乙醇 、 水 为溶剂， 反应 22.0h， 生成 Sodium; [2-(2,6-dichloro-3-methyl-phenylamino)-phenyl]-acetate
  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：

  劳森试剂 、 2-[(2,6-dichloro-3-methylphenyl)amino]-benzamide 在 氮气 、 正己烷 、 乙酸乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 74.0h， 以ethyl acetate (gradient of 6:1 to 3:1), providing 1.71 g (57%) of a pale yellow solid的产率得到N-Phenyl-2.6-dichlor-3-methyl-anilin
  参考文献：
  名称：

  Fenamate 1,3,4-thiadiazoles and 1,3,4-oxadiazoles as antiinflammatory

  摘要：

  本发明涉及一种新型化合物，其为1,3,4-噻二唑和1,3,4-噁二唑，以及其药学上可接受的酸加合物或碱盐，具有抑制单独或联合5-脂氧合酶和环氧合酶的活性，以及其制药组合物或使用方法。

  公开号：

  US05462952A1

文献信息

• Fenamic acid hydroxamate derivatives having cyclooxygenase and
  申请人：Warner-Lambert Company

  公开号：US05155110A1

  公开（公告）日：1992-10-13

  The present invention is novel selected hydroxamic acid derivatives of fenamic acids having 5-lipoxygenase and cyclooxygenase inhibiting properties, pharmaceutical compositions for treating conditions advantageously affected by the inhibition and methods for treating these conditions in mammals, including humans suffering therefor.

  本发明是关于选择的具有5-脂氧合酶和环氧合酶抑制作用的非那酸的新颖羟肟酸衍生物，以及用于治疗受到这种抑制有利影响的疾病的药物组合物和治疗这些疾病的方法，包括患有这些疾病的哺乳动物，包括人类。
• 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。
• Novel fenamic acid hydroxamate derivatives having cyclooxygenase and 5-lipoxygenase inhibition
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0316630A1

  公开（公告）日：1989-05-24

  The present invention is novel selected hydroxamic acid derivatives of fenamic acids having 5-lipoxygenase and cyclooxygenase inhibiting properties, pharmaceutical compositions for treating conditions advantageously affected by the inhibition and methods for treating these conditions in mammals, including humans suffering therefor.

  本发明是具有 5-脂氧合酶和环氧合酶抑制特性的新型精选非那西酸羟肟酸衍生物、用于治疗受其抑制作用有利影响的病症的药物组合物，以及治疗哺乳动物（包括受其影响的人类）的这些病症的方法。
• 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
• METHODS OF SCREENING USING AMPHIBIANS
  申请人：Brändli, André W.

  公开号：EP2409149B1

  公开（公告）日：2015-11-11