methyl 2-(4-(4-chlorophenoxy)phenyl)acetate | 69383-41-1

• 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: methyl 2-(4-(4-chlorophenoxy)phenyl)acetate
• 英文别名: (4-(4-Chloro-phenoxy)-phenyl)-acetic acid methyl ester；methyl α-[p-(p-chlorophenoxy)phenyl]acetate；Methyl alpha-[p-(p-chlorophenoxy)phenyl]acetate；methyl 2-[4-(4-chlorophenoxy)phenyl]acetate
• CAS: 69383-41-1
• 化学式: C₁₅H₁₃ClO₃
• 分子量: 276.719
• InChiKey: RMLHLVGMOGCMMU-UHFFFAOYSA-N

物化性质

• 沸点：
  173-178 °C(Press: 0.5 Torr)
• 密度：
  1.231±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-(4-chlorophenoxy)phenyl)acetate 在 氯化亚砜 、 磺酰氯 、 偶氮二甲酸二异丙酯 、 三溴化硼 、 三乙胺 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 3-[4-[4-butyl-5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl]phenoxy]-N,N-diethylpropan-1-amine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of tri-substituted thiazoles as RAGE antagonists for the treatment of Alzheimer’s disease

  摘要：

  A series of thiazole derivatives were designed, and prepared to develop RAGE antagonist for the treatment of Alzheimer's disease (AD). SAR studies were performed to optimize inhibitory activity on A beta-RAGE binding. SAR studies showed that introducing an amino group at part A was essential for inhibitory activity on A beta-RAGE binding. Compounds selected from A beta-RAGE binding screening displayed inhibitory activity on A beta transport across BBB. They also showed inhibitory activity against A beta-induced NF-kappa B activation. These results indicated that our derivatives had a potential as therapeutic agent for the treatment of AD. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.022
• 作为产物：
  描述：

  2-(4-(4-氯苯氧基)苯基)乙酸 在 氯化亚砜 作用下， 以 甲醇 为溶剂， 生成 methyl 2-(4-(4-chlorophenoxy)phenyl)acetate
  参考文献：
  名称：

  Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds

  摘要：

  具有以下化学式I的化合物，其中R1代表取代或未取代的苯氧基、苯硫醚基、苯亚砜基、苯砜基、苯胺基或苯甲基残基，R2代表可选取代的芳基或杂环芳基残基，具有金属蛋白酶抑制剂活性。

  公开号：

  US06498252B1

文献信息

• Hypolipemic .alpha.-aryloxy para substituted phenyl acetic acid compounds
  申请人：American Cyanamid Company

  公开号：US04125729A1

  公开（公告）日：1978-11-14

  This invention discloses .alpha.-aryloxy para substituted phenyl acetic acid compounds that are useful in lowering sterol and triglyceride serum levels.

  这项发明揭示了一种有用于降低固醇和甘油三酯血清水平的α-芳氧基对取代苯乙酸化合物。
• Hypolipemic phenylacetic acid derivatives
  申请人：American Cyanamid Company

  公开号：US04168385A1

  公开（公告）日：1979-09-18

  This invention discloses .alpha.-aryloxy or .alpha.-arylthio para substituted phenyl acetic acid compounds that are useful in lowering sterol and triglyceride serum levels.

  这项发明揭示了一种有用于降低固醇和甘油三酯血清水平的α-芳氧基或α-芳硫基对位取代苯乙酸化合物。
• Synthesis and structure activity relationships of cyanopyridone based anti-tuberculosis agents
  作者：Yanlin Jian、Fabian Hulpia、Martijn D.P. Risseeuw、He Eun Forbes、Hélène Munier-Lehmann、Guy Caljon、Helena I.M. Boshoff、Serge Van Calenbergh

  DOI：10.1016/j.ejmech.2020.112450

  日期：2020.9

  thymidylate kinase (MtbTMPK) for the synthesis of thymidine triphosphates and thus also DNA synthesis. Therefore, this enzyme constitutes a potential Achilles heel of the pathogen. Based on a previously reported MtbTMPK 6-aryl-substituted pyridine inhibitor and guided by two co-crystal structures of MtbTMPK with pyridone- and thymine-based inhibitors, we report the synthesis of a series of aryl-shifted cyanopyridone

  结核分枝杆菌是结核病的病原体，它依赖胸苷酸激酶 ( Mtb TMPK) 来合成三磷酸胸苷，从而也合成 DNA。因此，这种酶构成了病原体的潜在致命弱点。基于先前报道的Mtb TMPK 6-芳基取代吡啶抑制剂，并以Mtb TMPK 与吡啶酮和胸腺嘧啶抑制剂的两种共晶结构为指导，我们报告了一系列芳基转移氰基吡啶酮类似物的合成。这些化合物通常缺乏显着的Mtb TMPK 抑制效力，但一些类似物确实表现出有希望的抗结核活性。模拟11i证明与文献化合物5相比，抗结核活性增加了 10 倍（MIC H37Rv，1.2 μM）。许多具有全细胞抗分枝杆菌活性的类似物没有明显的细胞毒性。
• Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds
  申请人：Hoffmann-La Roche Inc.

  公开号：US06498252B1

  公开（公告）日：2002-12-24

  Compounds of formula I in which R1 represents a substituted or unsubstituted phenoxy, phenylthio, phenylsulfinyl, phenylsulfonyl, phenylamino or phenylmethyl residue, and R2 represents an optionally substituted aryl or heteroaryl residue, with metallo-proteinase inhibitor activity.

  具有以下化学式I的化合物，其中R1代表取代或未取代的苯氧基、苯硫醚基、苯亚砜基、苯砜基、苯胺基或苯甲基残基，R2代表可选取代的芳基或杂环芳基残基，具有金属蛋白酶抑制剂活性。
• TRUST R. I.; MCEVOY F. J.; ALBRIGHT J. D., J. MED. CHEM. 1979, 22, NO 9, 1068-1079
  作者：TRUST R. I.、 MCEVOY F. J.、 ALBRIGHT J. D.

  DOI：——

  日期：——