2-(4-丁氧基苯氧基)-乙酸 | 38559-81-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-丁氧基苯氧基)-乙酸
• 英文名称: 2-(4-butoxyphenoxy)acetic acid
• 英文别名: (4-butoxy-phenoxy)-acetic acid；(4-Butoxy-phenoxy)-essigsaeure；(4-butoxyphenoxy)acetic acid；p-n-Butyloxy-phenoxyessigsaeure
• CAS: 38559-81-8
• 化学式: C₁₂H₁₆O₄
• mdl: MFCD06823821
• 分子量: 224.257
• InChiKey: CKROMSAARMUYAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  N-甲基羟胺 、 2-(4-丁氧基苯氧基)-乙酸 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 生成 2-(4-Butoxy-phenoxy)-N-hydroxy-N-methyl-acetamide
  参考文献：
  名称：

  Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships

  摘要：

  An evaluation of the quantitative structure-activity relationships (QSAR) for more than 100 hydroxamic acids revealed that the primary physicochemical feature influencing the in vitro 5-lipoxygenase inhibitory potencies of these compounds is the hydrophobicity of the molecule. A significant correlation was observed between the octanol-water partition coefficient of the substituent attached to the carbonyl of the hydroxamate and in vitro inhibitory activity. This correlation held for hydroxamic acids of diverse structure and with potencies spanning 4 orders of magnitude. Although the hydrophobicity may be packaged in a variety of structural ways and still correlate with potency, the QSAR study revealed two major exceptions. Specifically, the hydrophobicity of portions of compounds in the immediate vicinity of the hydroxamic acid functionality does not appear to contribute to increased inhibition and the hydrophobicity of fragments beyond approximately 12 A from the hydroxamate do not influence potency. The QSAR study also demonstrated that inhibitory activity was enhanced when there was an alkyl group on the hydroxamate nitrogen, when electron-withdrawing substituents were present and when the hydroxamate was conjugated to an aromatic system. These observations provide a simple description of the lipoxygenase-hydroxamic acid binding site.

  DOI：

  10.1021/jm00165a017
• 作为产物：
  描述：

  sodium monochloroacetic acid 、 4-正丁氧基苯酚 在 sodium hydroxide 、 potassium iodide 作用下， 以 乙醇 、 水 为溶剂， 反应 5.5h， 以86%的产率得到2-(4-丁氧基苯氧基)-乙酸
  参考文献：
  名称：

  一种萃取剂及其制备方法与应用

  摘要：

  本发明涉及金属的分离富集领域，特别是一种萃取剂及其制备方法与应用，通过苯酚类化合物和卤代羧酸衍生物或卤代羧酸盐在溶剂中反应，再进行酸化，合成苯氧基羧酸类萃取剂；制备的萃取剂经过碱性化合物皂化后可以用于稀土矿物浸出液中稀土的富集，与现有的萃取剂相比，具有更高的沉淀能力，沉淀效率高，沉淀颗粒较大，有利于稀土萃取络合物和水相的分离，提高生产效率，而且，本发明的萃取剂还可以用于选择性地回收/分离来自不同行业的有价值金属。

  公开号：

  CN111020188B

文献信息

• [EN] USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO)<br/>[FR] UTILISATION DE DERIVES DE 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES COMME INHIBITEURS DE L'ENZYME MYELOPEROXYDASE (MPO)
  申请人：ASTRAZENECA AB

  公开号：WO2004096781A1

  公开（公告）日：2004-11-11

  There is disclosed the use of a compound of formula (I) wherein X, Y, W and Q are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (I) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.

  揭示了使用公式(I)中X、Y、W和Q如规范中定义的化合物及其药用盐，在制造药物中用于治疗或预防对髓过氧化物酶（MPO）抑制有益的疾病或症状。公开了某些公式(I)的新化合物及其药用盐，以及它们的制备方法。公式(I)的化合物是MPO抑制剂，因此在治疗或预防神经炎症性疾病中特别有用。
• Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation
  申请人：Bhatnagar Neerja

  公开号：US20050171346A1

  公开（公告）日：2005-08-04

  The present invention discloses and claims compounds of formula (I) as inhibitors of proteases and kinases, method using said compounds of formula (I) for the prevention or treatment of certain cardiovascular, central nervous system, inflammatory, and bone diseases as well as infectious diseases and certain cancers. Combinatorial libraries of compounds of formula (I), pharmaceutical compositions and methods for preparation of combinatorial libraries and compounds of formula (I) are also disclosed and claimed.

  本发明揭示和声明了化合物的公式(I)作为蛋白酶和激酶的抑制剂，以及使用该化合物的方法，用于预防或治疗某些心血管、中枢神经系统、炎症、骨骼疾病以及传染病和某些癌症。还揭示和声明了化合物的公式(I)的组合库、制药组合物以及制备组合库和化合物的方法。
• Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo)
  申请人：Svensson Mats

  公开号：US20070093483A1

  公开（公告）日：2007-04-26

  There is disclosed the use of a compound of formula (I) wherein X, Y, W and Q are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (I) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.

  本发明揭示了使用化合物(I)的使用，其中X、Y、W和Q如规范中所定义，以及其药学上可接受的盐，在制造药物方面，用于治疗或预防抑制髓过氧化物酶（MPO）酶有益的疾病或状况。揭示了某些新型化合物(I)及其药学上可接受的盐，以及其制备方法。化合物(I)的MPO抑制剂，因此特别适用于治疗或预防神经炎症性疾病。
• Irreversible enzyme inhibitors. 195. Inhibitors of thymidine kinase from Walker 256 carcinoma derived from thymidine 5'-acetate
  作者：B. R. Baker、John P. Neenan

  DOI：10.1021/jm00279a016

  日期：1972.9
• USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO)
  申请人：AstraZeneca AB

  公开号：EP1620410A1

  公开（公告）日：2006-02-01