3-(4-苯氧基苯基)丙酸 | 20062-91-3

• 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: 3-(4-苯氧基苯基)丙酸
• 英文名称: 3-(4-phenoxyphenyl)propanoic acid
• 英文别名: 3-(4-phenoxy-phenyl)-propionic acid
• CAS: 20062-91-3
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: XNZKHFWFUASCFO-UHFFFAOYSA-N

物化性质

• 沸点：
  393.9±25.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 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：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-(4-苯氧基苯基)丙酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  BODIPY-Based Fluorescent Probe for Peroxynitrite Detection and Imaging in Living Cells

  摘要：

  A fluorescent probe, HKGreen-2, has been developed based on a specific reaction between ketone and peroxynitrite (ONOO-). This probe is highly sensitive and selective for the detection of peroxynitrite not only in abiotic but also in biological systems. With this probe, we successfully detected peroxynitrite generated in murine macrophage cells activated by phorbol 12-myristate 13-acetate (PMA), interferon-gamma (IFN-gamma), and lipopolysaccharide (LPS). This new probe will be a useful tool for studying the roles of peroxynitrite in biological processes.

  DOI：

  10.1021/ol900279z
• 作为产物：
  描述：

  3-(4-苯氧基苯基)丙酸乙酯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.0h， 以82%的产率得到3-(4-苯氧基苯基)丙酸
  参考文献：
  名称：

  Structure−Activity Relationships of α-Ketooxazole Inhibitors of Fatty Acid Amide Hydrolase

  摘要：

  A systematic study of the structure-activity relationships of 2b (OL-135), a potent inhibitor of fatty acid amide hydrolase (FAAH), is detailed targeting the C2 acyl side chain. A series of aryl replacements or substituents for the terminal phenyl group provided effective inhibitors (e.g., 5c, aryl = 1- napthyl, K-i = 2.6 nM), with 5hh (aryl = 3-ClPh, K-i = 900 pM) being 5-fold more potent than 2b. Conformationally restricted C2 side chains were examined, and many provided exceptionally potent inhibitors, of which 11j (ethylbiphenyl side chain) was established to be a 750 pM inhibitor. A systematic series of heteroatoms (O, NMe, S), electron-withdrawing groups (SO, SO2), and amides positioned within and hydroxyl substitutions on the linking side chain were investigated, which typically led to a loss in potency. The most tolerant positions provided effective inhibitors (12p, 6-position S, K-i = 3 nM, or 13d, 2-position OH, K-i = 8 nM) comparable in potency to 2b. Proteome-wide screening of selected inhibitors from the systematic series of > 100 candidates prepared revealed that they are selective for FAAH over all other mammalian serine proteases.

  DOI：

  10.1021/jm061414r

文献信息

• Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor
  申请人：Souers J. Andrew

  公开号：US20050137243A1

  公开（公告）日：2005-06-23

  The present invention relates to the antagonism of the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor which is useful for the prevention or treatment of eating disorders, weight gain, obesity, abnormalities in reproduction and sexual behavior, thyroid hormone secretion, diuresis and water/electrolyte homeostasis, sensory processing, memory, sleeping, arousal, anxiety, depression, seizures, neurodegeneration and psychiatric disorders.

  本发明涉及通过黑色素浓缩激素受体对黑色素浓缩激素（MCH）效应的拮抗，该拮抗对预防或治疗进食障碍、体重增加、肥胖、生殖和性行为异常、甲状腺激素分泌、利尿和水/电解质平衡、感觉处理、记忆、睡眠、唤醒、焦虑、抑郁、癫痫、神经退行性疾病和精神疾病有用。
• [EN] SMALL MOLECULE VE-PTP INHIBITORS<br/>[FR] INHIBITEURS DE VE-PTP À PETITES MOLÉCULES
  申请人：RIPKA AMY

  公开号：WO2021257754A1

  公开（公告）日：2021-12-23

  The present disclosure relates to compounds capable of inhibiting vascular endothelial protein tyrosine phosphatase (VE-PTP). These compounds are also capable of activating Tie2 receptor-mediated signaling. The present disclosure also relates to pharmaceutically acceptable salts of said compounds, to pharmaceutical compositions comprising such compounds and/or pharmaceutically acceptable salts thereof, and to the use of such compounds, pharmaceutically acceptable salts thereof, and/or pharmaceutical compositions comprising the same in treating diseases and/or conditions mediated by VE-PTP signaling, such as those mediated by Angiopoietm/Tie2 signaling.

  本公开涉及能够抑制血管内皮蛋白酪氨酸磷酸酶（VE-PTP）的化合物。这些化合物还能够激活Tie2受体介导的信号传导。本公开还涉及所述化合物的药学上可接受的盐，包括含有这些化合物和/或药学上可接受的盐的药物组合物，以及利用这些化合物、药学上可接受的盐和/或含有相同成分的药物组合物治疗由VE-PTP信号传导介导的疾病和/或病况，例如由Angiopoietm/Tie2信号传导介导的疾病。
• 2-Keto-Oxazoles as Modulators of Fatty Acid Amide Hydrolase
  申请人：Apodaca Richard

  公开号：US20090111778A1

  公开（公告）日：2009-04-30

  Certain 2-keto-oxazole compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity. Thus, the compounds may be administered to treat, e.g., anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders (such as multiple sclerosis).

  本文描述了某些2-酮噁唑类化合物，可用作FAAH抑制剂。这些化合物可以用于药物组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态，紊乱和情况的方法。因此，这些化合物可以用于治疗焦虑、疼痛、炎症、睡眠障碍、饮食障碍或运动障碍（如多发性硬化症）。
• TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE
  申请人：Boger Dale L.

  公开号：US20100249078A1

  公开（公告）日：2010-09-30

  Certain tetracyclic compounds are described, which may be used in pharmaceutical compositions and methods for treating disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity. Thus, the compounds may be administered to treat, e.g., anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders (such as multiple sclerosis).

  本文描述了某些四环化合物，可用于制备药物组合物和方法，用于治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态、障碍和病况。因此，这些化合物可以用于治疗焦虑、疼痛、炎症、睡眠障碍、进食障碍或运动障碍（例如多发性硬化）。
• Tetracyclic inhibitors of fatty acid amide hydrolase
  申请人：Boger Dale L.

  公开号：US08372823B2

  公开（公告）日：2013-02-12

  Certain tetracyclic compounds are described, which may be used in pharmaceutical compositions and methods for treating disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity. Thus, the compounds may be administered to treat, e.g., anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders (such as multiple sclerosis).

  本文描述了某些四环类化合物，可用于制备药物组合物和治疗由脂肪酸酰胺酶（FAAH）活性介导的疾病状态、疾病和病症的方法。因此，该化合物可用于治疗焦虑、疼痛、炎症、睡眠障碍、饮食障碍或运动障碍（如多发性硬化）等疾病。