2-[(2,6-dichlorophenylamino)phenyl]ethanoic acid

• 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-[(2,6-dichlorophenylamino)phenyl]ethanoic acid
• 英文别名: diclofenac；diclofenac acid；[3-(2,6-dichloro-phenylamino)-phenyl]-acetic acid；2-(3-(2,6-Dichlorophenylamino)phenyl)acetic acid；2-[3-(2,6-dichloroanilino)phenyl]acetic acid
• 化学式: C₁₄H₁₁Cl₂NO₂
• 分子量: 296.153
• InChiKey: GUBCEQURYDYJDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 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

• 作为反应物：
  描述：

  四氟化钒 、 2-[(2,6-dichlorophenylamino)phenyl]ethanoic acid 以 甲醇 为溶剂， 以75%的产率得到difluorovanadium(IV) di(2-[(2,6-dichlorophenylamino)phenyl]ethanoate)
  参考文献：
  名称：

  Difluorovanadium(IV) dicarboxylates: Coordination behavior and biological activity

  摘要：

  Different vanadium(IV) complexes of general formula VF2L2 have been synthesized, where L are various nonsteroidal antiinflammatory drugs. The complexes are characterized by elemental analysis, UV-visible, and infrared spectroscopy. The metal contents estimated by the ICP-AES method in the synthesized complexes are in good agreement with their calculated values and spectroscopic data proposed the octahedral geometry for the reported complexes. Conductance measurements show the nonelectrolytic nature of complexes. Biological screening tests against different bacteria and fungi show significant antibacterial and antifungal activity for all the complexes.

  DOI：

  10.1134/s1070328407080052

文献信息

• Anti-inflammatory agents
  申请人：Sulfidris S.r.l.

  公开号：EP1832575A1

  公开（公告）日：2007-09-12

  The present invention relates to novel thiosulfonates derivatives. The present invention also provides methods for preventing, treating and/or reducing inflammation-associated diseases in the cardiovascular, connective tissue, pulmonary, gastrointestinal, respiratory, urogenital, nervous or cutaneous systems as well as infective and tumoral diseases employing said compounds.

  本发明涉及新型的硫代硫酸盐衍生物。本发明还提供了使用所述化合物预防、治疗和/或减少心血管、结缔组织、肺、胃肠、呼吸、泌尿生殖、神经或皮肤系统以及感染性和肿瘤性疾病中的炎症相关疾病的方法。
• Synthesis and pharmacological evaluation of amide conjugates of NSAIDs with L -cysteine ethyl ester, combining potent antiinflammatory and antioxidant properties with significantly reduced gastrointestinal toxicity
  作者：Dimitrios Galanakis、Angeliki P Kourounakis、Karyophyllis C Tsiakitzis、Christos Doulgkeris、Eleni A Rekka、Antonios Gavalas、Constantina Kravaritou、Christos Charitos、Panos N Kourounakis

  DOI：10.1016/j.bmcl.2004.05.025

  日期：2004.7

  The synthesis and pharmacological evaluation of a series of amide derivatives of NSAIDs with L-cysteine ethyl ester is described. The novel derivatives are potent antiinflammatory, antioxidant and hypocholesterolemic-hypolipidemic agents, while they demonstrate considerably reduced gastrointestinal toxicity. This molecular modification may offer a general route to safer antiinflammatory agents, potentially

  描述了一系列NSAIDs的酰胺衍生物与L-半胱氨酸乙酯的合成和药理学评价。新的衍生物是有效的抗炎药，抗氧化剂和降血脂降血脂药，同时它们显示出明显降低的胃肠道毒性。这种分子修饰可为获得更安全的抗炎药提供一般途径，可能适合长期用于神经退行性疾病等疾病。
• PHARMACEUTICAL COMBINATION
  申请人：Schiene Klaus

  公开号：US20090099138A1

  公开（公告）日：2009-04-16

  A combination comprising as components (a) the compound 3-(3-Dimethylamino-1-ethyl-2-methyl-propyl)-phenol, and (b) one or more non-steroidal anti-inflammatory drugs (NSAIDs); a pharmaceutical salt comprising said components; a compound derived from said components; a pharmaceutical formulation and a dosage form comprising said combination, salt, or compound; as well as a method of treating pain, e.g. chronic or acute pain, in a mammal characterized in that components (a) and (b) are administered simultaneously or sequentially to a mammal, wherein component (a) may be administered before or after component (b) and wherein components (a) or (b) are administered to the mammal either via the same or a different pathway of administration.

  一种组合物，包括以下成分：(a) 化合物3-(3-二甲基氨基-1-乙基-2-甲基-丙基)-苯酚，以及 (b) 一种或多种非甾体类抗炎药(NSAIDs)；包括上述成分的药物盐；由上述成分衍生的化合物；包括上述组合物、盐或化合物的药物制剂和剂型；以及一种治疗哺乳动物的疼痛，例如慢性或急性疼痛的方法，其特征在于将成分(a)和(b)同时或顺序给哺乳动物，其中成分(a)可以在成分(b)之前或之后给予，成分(a)或(b)可以通过相同或不同的给药途径给予哺乳动物。
• SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTAL FORM IN THE TREATMENT OF PAIN
  申请人：Buschmann Helmut Heinrich

  公开号：US20110105443A1

  公开（公告）日：2011-05-05

  The present invention relates to salts of Memantine and COX-INHIBITORs, their crystal form, the processes for preparation of the same and their uses for the treatment of various disorders, including pain.

  本发明涉及美金刚烷盐和COX抑制剂的盐，它们的晶体形态，制备方法以及它们用于治疗各种疾病，包括疼痛的用途。
• Pharmaceutical Combination
  申请人：GRUENENTHAL GmbH

  公开号：US20130190333A1

  公开（公告）日：2013-07-25

  A combination comprising as components (a) the compound 3-(3-Dimethylamino-1-ethyl-2-methyl-propyl)-phenol, and (b) one or more non-steroidal anti-inflammatory drugs (NSAIDs); a pharmaceutical salt comprising said components; a compound derived from said components; a pharmaceutical formulation and a dosage form comprising said combination, salt, or compound; as well as a method of treating pain, e.g. chronic or acute pain, in a mammal characterized in that components (a) and (b) are administered simultaneously or sequentially to a mammal, wherein component (a) may be administered before or after component (b) and wherein components (a) or (b) are administered to the mammal either via the same or a different pathway of administration.

  一种组合物，包括以下成分：(a) 化合物3-(3-二甲基氨基-1-乙基-2-甲基丙基)-苯酚，以及(b) 一种或多种非甾体抗炎药(NSAIDs)；包括上述成分的药物盐；由上述成分衍生的化合物；包括上述组合物、盐或化合物的制药配方和剂型；以及一种治疗哺乳动物疼痛的方法，例如慢性或急性疼痛，其特征在于将成分(a)和(b)同时或顺序给哺乳动物，其中成分(a)可以在成分(b)之前或之后给予，成分(a)或(b)可以通过相同或不同的给药途径给予哺乳动物。