methyl-[4-(1-oxoethyl)phenoxy] Acetate | 6296-28-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl-[4-(1-oxoethyl)phenoxy] Acetate
• 英文别名: methyl 2-(4-acetylphenoxy)acetate；methyl (4-acetylphenyl)oxyacetate；(4-acetyl-phenoxy)-acetic acid methyl ester；(4-Acetyl-phenoxy)-essigsaeure-methylester；4-methoxycarbonylmethyloxy-acetophenone
• CAS: 6296-28-2
• 化学式: C₁₁H₁₂O₄
• mdl: MFCD00277863
• 分子量: 208.214
• InChiKey: ISVMGSYGCXYTNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 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：

  methyl-[4-(1-oxoethyl)phenoxy] Acetate 在 溴 作用下， 以 甲醇 为溶剂， 以86%的产率得到α-Bromo-4-methoxycarbonylmethyloxy-acetophenone
  参考文献：
  名称：

  一种新的支持试剂，用于溶液中光化学生成自由基。

  摘要：

  通过将N-羟基噻唑2（3）-硫酮负载在Wang树脂上，开发了一种新的聚合物支撑的自由基源。这种新的支持试剂可以在非常温和的条件下（用放电灯照射）用于Hunsdiecker反应的固相形式或释放游离的烷氧基，这是“捕获和释放”技术的一种变体。纯化程序。

  DOI：

  10.1021/ol007032b
• 作为产物：
  描述：

  苯酚 在 aluminum (III) chloride 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 methyl-[4-(1-oxoethyl)phenoxy] Acetate
  参考文献：
  名称：

  Synthesis and biological evaluation of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists

  摘要：

  Free fatty acid receptor 1 (FFA1) is a new potential drug target for the treatment of type 2 diabetes because of its role in amplifying glucose-stimulated insulin secretion in pancreatic β-cell. In the present studies, we identified phenoxyacetic acid derivative (18b) as a potent FFA1 agonist (EC50=62.3 nM) based on the structure of phenylpropanoic acid derivative 4p. Moreover, compound 18b could significantly improve oral glucose tolerance in ICR mice and dose-dependently reduced glucose levels in type 2 diabetic C57BL/6 mice without observation of hypoglycemic side effect. Additionally, compound 18b exhibited acceptable PK profiles. In summary, compound 18b with ideal PK profiles exhibited good activity in vitro and in vivo, and might be a promising drug candidate for the treatment of diabetes mellitus.

  DOI：

  10.1016/j.bmc.2014.11.016

文献信息

• Piperazine derivatives, medicaments comprising these compounds, their
  申请人：Dr. Karl Thomae GmbH

  公开号：US05922717A1

  公开（公告）日：1999-07-13

  The present invention relates to piperazine derivatives of the general formula ##STR1## in which R.sub.a, Y.sub.1 to Y.sub.3 and E are defined herein, tautomers thereof, stereoisomers thereof, including their mixtures, and salts thereof, and in particular physiologically tolerated salts thereof with inorganic or organic acids or bases. These compounds have valuable pharmacological properties, such as aggregation-inhibiting activity. This invention also relates to medicaments comprising these compounds and to processes for the preparation of these compounds.

  本发明涉及一般式##STR1##的哌嗪衍生物，其中R.sub.a，Y.sub.1至Y.sub.3和E在此定义，其互变异构体，立体异构体，包括它们的混合物，以及其盐，特别是与无机或有机酸或碱的生理耐受盐。这些化合物具有有价值的药理特性，如抑制聚集活性。本发明还涉及包含这些化合物的药物和制备这些化合物的方法。
• ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF
  申请人：Li Song

  公开号：US20110009427A1

  公开（公告）日：2011-01-13

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or solvate thereof. Various substituents in the formula (I) are as defined in the specification. The present invention also relates to a pharmaceutical composition comprising the compound of formula (I), the preparation method of compound of formula (I), and the use of the compound for the preparation of a medicament for treating and/or preventing human peroxisome proliferators activated receptor δ (hPPARδ)-associated diseases and risk factors.

  本发明涉及一种具有式(I)的化合物，或其药学上可接受的盐或溶剂。式(I)中的各种取代基如规范中所定义。本发明还涉及包括式(I)化合物的药物组合物，式(I)化合物的制备方法，以及利用该化合物制备用于治疗和/或预防人类过氧化物酶体增殖物激活受体δ(hPPARδ)相关疾病和危险因素的药物的用途。
• Piperazine derivatives, pharmaceutical compositions containing these
  申请人：Karl Thomae, GmbH

  公开号：US05700801A1

  公开（公告）日：1997-12-23

  Piperazine derivatives useful in the treatment or prevention of inflammation, bone degradation, thrombosis and tumor metastasis. Exemplary species are: (a) \x9b4-trans-\x9b3-\x9b4-(4-Pyridyl)-piperazin-1-yl!propionyl!amino!-cyclohexanecarb oxylic acid, (b) 3-\x9b4-trans-\x9b4-(4-Pyridyl)-piperazin-1-yl!carbonylamino!-cyclohexylpropioni c acid, (c) 3-\x9b4-trans-\x9b4-(4-Pyridyl)-piperazin-1-yl!malonylamino!cyclohexylcarboxylic acid, (d) Methyl \x9b4-trans-\x9b3-\x9b4-(4-pyridyl)-piperazin-1-yl!-propionyl!-amino!cyclohexane carboxylate, (e) Methyl 3-\x9b4-trans-\x9b4-(4-pyridyl)-piperazin-1-yl!-carbonylamino!cyclohexyl propionate, (f) Methyl \x9b4-trans-\x9b4-(4-pyridyl)-piperazin-1-yl!-malonylamino!-cyclohexyl carboxylate, (g) Cyclohexyl \x9b4-trans-\x9b\x9b4-(4-pyridyl)-piperazin-1-yl!-acetyl!-amino!-cyclohexane carboxylate, and (h) Isobutyl \x9b4-trans-\x9b\x9b4-(4-pyridyl)-piperazin-1-yl!-acetyl!-amino!-cyclohexane carboxylate.

  吡嗪衍生物在治疗或预防炎症、骨质疏松、血栓形成和肿瘤转移方面具有用处。示例物种包括：(a) \x9b4-反式-\x9b3-\x9b4-(4-吡啶基)-哌嗪-1-基丙酰氨基-环己烷羧酸，(b) 3-\x9b4-反式-\x9b4-(4-吡啶基)-哌嗪-1-基甲酰氨基-环己基丙酸，(c) 3-\x9b4-反式-\x9b4-(4-吡啶基)-哌嗪-1-基马酰氨基环己基羧酸，(d) 甲基\x9b4-反式-\x9b3-\x9b4-(4-吡啶基)-哌嗪-1-基丙酰氨基环己烷羧酸酯，(e) 甲基3-\x9b4-反式-\x9b4-(4-吡啶基)-哌嗪-1-基甲酰氨基环己基丙酸酯，(f) 甲基\x9b4-反式-\x9b4-(4-吡啶基)-哌嗪-1-基马酰氨基环己基羧酸酯，(g) 环己基\x9b4-反式-\x9b\x9b4-(4-吡啶基)-哌嗪-1-基乙酰氨基环己烷羧酸酯，和(h) 异丁基\x9b4-反式-\x9b\x9b4-(4-吡啶基)-哌嗪-1-基乙酰氨基环己烷羧酸酯。
• Synthesis and diuretic activity of 3-sulfamoyl-4-chlorobenzoylhydrazones of 4-acetylphenoxyacetic acid and its derivatives
  作者：V. A. Smirnov、L. V. Simerzina

  DOI：10.1007/bf02464263

  日期：1997.10

  that 3-sulfamoyl-4-chlorobenzoylhydrazones of some aromatic aldehydes exhibited diuretic and saluretic activity, although the effect could be observed only for a rather short time. This behavior could be attributed to the fact that these hydrazones are rapidly hydrolyzed in the organism with the formation of a 3-sulfamoyl-4chlorobenzoic acid hydrazide (I), capable of producing weak diuretic action, and

  早些时候我们报道 [1] 一些芳香醛的 3-氨磺酰基-4-氯苯甲酰腙显示出利尿和利尿活性，尽管这种作用只能在相当短的时间内观察到。这种行为可能归因于这些腙在生物体内迅速水解，形成 3-氨磺酰-4 氯苯甲酸酰肼 (I)，能够产生弱利尿作用，而相应的羰基化合物不具有利尿特性。因此，合成和研究本身具有利尿活性的羰基化合物的 3-氨磺酰-4-氯苯甲酰腙是很有意义的。我们已成功地在 4-乙酰苯氧乙酸的衍生物中发现了此类化合物 [2]。最初的酰肼 I 是通过将 3-氨磺酰基-4-氯苯甲酸乙酯 (II) 和水合肼的混合物在 70 75° 下在没有溶剂的情况下加热 10 分钟来合成的。与 [3] 中描述的方法相比，该反应提供更高纯度的目标产物并提供更高的产率。在催化量的乙酸存在下，酰肼 I 与相应的羰基化合物在 2-丙醇介质中发生缩合反应，得到 4-乙酰苯氧基乙酸的 3-氨基磺酰-4-氯苯甲酰腙及其衍生物（III
• ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS
  申请人：Blackwell Helen E.

  公开号：US20090270423A1

  公开（公告）日：2009-10-29

  The present invention relates generally to compounds providing antibacterial therapeutic agents and preparations, and related methods of using and making antibacterial compounds. Antibacterial compounds of the present invention include chalcone, alkylpyrimidine, aminopyrimidine and cyanopyridine compounds and derivatives thereof exhibiting minimum inhibitory concentrations (MIC) similar to or less than conventional antibacterial compounds in wide use.

  本发明一般涉及提供抗菌治疗剂和制剂的化合物，以及使用和制备抗菌化合物的相关方法。本发明的抗菌化合物包括查尔酮、烷基嘧啶、氨基嘧啶和氰基吡啶化合物及其衍生物，其最小抑菌浓度（MIC）与广泛使用的常规抗菌化合物相似或更低。