3-(4-苄基苯基)丙酸乙酯 | 18908-76-4

• 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-苄基苯基)丙酸乙酯
• 英文名称: ethyl 3-(4-benzylphenyl)propanoate
• 英文别名: 3-(4-benzyl-phenyl)-propionic acid ethyl ester；3-(4-Benzyl-phenyl)-propionsaeure-aethylester
• CAS: 18908-76-4
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: YCTHOYIPZJCRFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-苄基苯基)丙酸乙酯 在 氢氧化钾 、 palladium on activated charcoal 、 三氯化铝 、 硫酸 、 sodium 、 一水合肼 、 溶剂黄146 、 铂 、 xylene 、 1,1,2,2-四氯乙烷 、 二乙二醇 作用下， 反应 2.0h， 生成 [7.1]paracyclophane
  参考文献：
  名称：

  Macro Rings. XVI. The Synthesis and Side Chain Chemistry of [9]Paracyclophane¹

  摘要：

  DOI：

  10.1021/ja01545a050
• 作为产物：
  描述：

  4-溴二苯基甲烷 在 palladium diacetate 、 palladium 10% on activated carbon 、 三苯基膦 三正丁胺 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 37.08h， 生成 3-(4-苄基苯基)丙酸乙酯
  参考文献：
  名称：

  WO2008/147553

  摘要：

  公开号：

文献信息

• PPAR AGONIST COMPOUNDS, PREPARATION AND USES
  申请人：Masson Christophe

  公开号：US20110195993A1

  公开（公告）日：2011-08-11

  The present invention relates to novel PPAR agonist compounds as well as pharmaceutical compositions containing them. The compounds according to the invention are of quite particular therapeutic interest, notably for treating diabetes and/or dyslipidemias, as well as for preventing cardiovascular pathologies.

  本发明涉及新型PPAR激动剂化合物以及含有它们的药物组合物。根据本发明的化合物在治疗糖尿病和/或脂质代谢异常以及预防心血管病变方面具有相当特殊的治疗兴趣。
• Macro Rings. I. Syntheses of a Novel Class of Compounds with a Chain of Alternating Benzene Rings and Methylene Groups
  作者：Takahiko Inazu、Tamotsu Yoshino

  DOI：10.1246/bcsj.41.647

  日期：1968.3

  As starting materials for the synthesis of a macrocyclic compound, I, bridged diphenylmethane derivatives of the general formula p-XC6H4CH2(C6H4CH2)mC6H4X-p were synthesized; X is hydrogen or (CH2)nCOOR (n=0–3), m=2 or 3, and R=hydrogen or alkyl.

  作为合成大环化合物I的起始原料，合成通式为p-XC6H4 (C6H4 )mC6H4X-p的桥联二苯甲烷衍生物；X 是氢或 (CH2)nCOOR (n=0–3)，m=2 或 3，R=氢或烷基。
• 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。
• Structure−Activity Relationships of α-Ketooxazole Inhibitors of Fatty Acid Amide Hydrolase
  作者：Christophe Hardouin、Michael J. Kelso、F. Anthony Romero、Thomas J. Rayl、Donmienne Leung、Inkyu Hwang、Benjamin F. Cravatt、Dale L. Boger

  DOI：10.1021/jm061414r

  日期：2007.7.1

  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.