ethyl 5-(2-methoxyphenyl)pentanoate | 643746-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 5-(2-methoxyphenyl)pentanoate
• 英文别名: 5-(2-methoxyphenyl)pentanoic acid ethyl ester
• CAS: 643746-88-7
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: NOCSXOJQYOTAOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  ethyl 5-(2-methoxyphenyl)pentanoate 在 吡啶 、 草酰氯 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 1,1,1,2,2-pentafluoro-7-(2-methoxyphenyl)heptan-3-one
  参考文献：
  名称：

  GVIA 钙非依赖性磷脂酶 A2 的新型强效选择性多氟烷基酮抑制剂

  摘要：

  VIA 组钙非依赖性磷脂酶 A 2 (GVIA iPLA 2 ) 最近已成为重要的药物靶点。选择性和有效的 GVIA iPLA 2抑制剂可用于研究其在各种神经系统疾病中的作用。在目前的工作中，我们探讨了在先前报道的强效 GVIA iPLA 2抑制剂中引入取代基的重要性。1,1,1,2,2-五氟-7-(4-甲氧基苯基)庚烷-3-one (GK187) 是有史以来报告的最有效和选择性的 GVIA iPLA 2抑制剂，其X I (50) 值为 0.0001，并且对 GIVA cPLA 2或 GV sPLA 2没有显着抑制作用. 我们还比较了两种二氟甲基酮对 GVIA iPLA 2、GIVA cPLA 2和 GV sPLA 2的抑制作用。

  DOI：

  10.1016/j.bmc.2013.07.010
• 作为产物：
  描述：

  乙基3-(2-甲氧基苯基)丙酸酯 在 lithium aluminium tetrahydride 、 palladium on activated charcoal 、 氢气 、 sodium hydride 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 ethyl 5-(2-methoxyphenyl)pentanoate
  参考文献：
  名称：

  Discovery of Synthetic Methoxy-substituted 4-Phenylbutyric Acid Derivatives as Chemical Chaperones

  摘要：

  本研究中，我们评估了合成4-苯基丁酸（4-PBA）衍生物的化学伴侣活性。这些衍生物在苯环上具有甲氧基和/或更长或更短的脂肪酸部分。多个4-PBA衍生物表现出比4-PBA更高的抗聚集活性。此外，4-（4-甲氧基苯基）丁酸（7b）显示出对内质网应激诱导的神经细胞死亡的保护作用。

  DOI：

  10.1246/cl.130419

文献信息

• [EN] SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF<br/>[FR] PIPERIDINES AMINOANILINIQUES SECONDAIRES UTILISEES COMME ANTAGONISTES DE LA MCH1 ET UTILISATIONS CORRESPONDANTES
  申请人：SYNAPTIC PHARMACEUTICAL CORPOR

  公开号：WO2004005257A1

  公开（公告）日：2004-01-15

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compounds of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject=s depression and/or anxiety. This invention further provides a method of treating a subject suffering from a urinary disorder.

  本发明涉及对黑素集中激素-1（MCH1）受体具有选择性的拮抗剂化合物。该发明提供了一种含有治疗有效量的本发明化合物和药用辅料的药物组合物。本发明还提供了一种通过结合治疗有效量的本发明化合物和药用辅料制成的药物组合物。本发明进一步提供了一种制作含有治疗有效量的本发明化合物和药用辅料的药物组合物的方法。本发明还提供了一种减少主体体质量的方法，包括向主体施用有效减少主体体质量的本发明化合物的量。本发明还提供了一种治疗患有抑郁和/或焦虑的主体方法，包括向主体施用有效治疗主体的抑郁和/或焦虑的本发明化合物的量。本发明还提供了一种治疗患有尿路障碍的主体方法。
• Synthesis, in vitro and in silico evaluation of diaryl heptanones as potential 5LOX enzyme inhibitors
  作者：Bharani Meka、Suryachandra Rao Ravada、Murali Krishna Kumar Muthyala、Purna Nagasree Kurre、Trimurtulu Golakoti

  DOI：10.1016/j.bioorg.2018.06.015

  日期：2018.10

  synthesized and their structures were confirmed by its 1H, 13C NMR and Mass spectral data. These analogs were evaluated for their anti-oxidant activity and potential to inhibit 5-lipoxygenase. Compounds 12k and 12o showed potent in vitro 5-lipoxygenase enzyme inhibitory activity with IC50 values of 22.2, 21.5 μM, which are comparable to curcumin (24.4 μM). Further they also have shown significant antioxidant

  合成了一系列新的二芳基庚烷（12a-q），并通过其1 H，13 C NMR和质谱数据证实了它们的结构。对这些类似物的抗氧化活性和抑制5-脂氧合酶的潜力进行了评估。化合物12k和12o显示出有效的体外5-脂氧合酶抑制活性，IC 50值为22.2，21.5μM，与姜黄素（24.4μM）相当。此外，它们还显示出显着的抗氧化剂活性。分子对接研究清楚地表明了这些化合物的结合能和效能之间的相关性。
• Secondary amino anilinic piperidines as mch1 antagonists and uses thereof
  申请人：Marzabadi R. Mohammad

  公开号：US20050245743A1

  公开（公告）日：2005-11-03

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compounds of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject=s depression and/or anxiety. This invention further provides a method of treating a subject suffering from a urinary disorder.

  本发明涉及一种选择性抗黑色素浓集激素-1（MCH1）受体的化合物。本发明提供一种药物组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供一种由本发明化合物的治疗有效量和药学上可接受的载体组成的药物组合物。本发明还提供一种制备药物组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体组合。本发明还提供一种减轻受试者体重的方法，包括向受试者投予本发明化合物的有效量以减轻受试者的体重。本发明还提供一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者投予本发明化合物的有效量以治疗受试者的抑郁症和/或焦虑症。本发明还提供一种治疗患有泌尿系统疾病的受试者的方法。
• PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS
  申请人：Gschneidner David

  公开号：US20110046050A1

  公开（公告）日：2011-02-24

  The present invention provides phenylalkylcarboxylic acid compounds and compositions containing such compounds which facilitate the delivery of biologically active agents.

  本发明提供苯基烷基羧酸化合物及含有此类化合物的组合物，有助于传递生物活性物质。
• Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof
  申请人：H. Lunbeck A/S

  公开号：US07473698B2

  公开（公告）日：2009-01-06

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compounds of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject=s depression and/or anxiety. This invention further provides a method of treating a subject suffering from a urinary disorder.

  该发明涉及选择性拮抗黑色素浓集激素-1（MCH1）受体的化合物。该发明提供了一种制药组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。该发明提供了一种制药组合物的制备方法，包括将本发明化合物的治疗有效量和药学上可接受的载体结合。该发明还提供了一种减少受试者体重的方法，包括向受试者施用本发明化合物的有效量以减少受试者的体重。该发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用本发明化合物的有效量以治疗受试者的抑郁症和/或焦虑症。该发明还提供了一种治疗患有尿液障碍的受试者的方法。