4-甲酰基-2-乙氧基苯氧基乙酸 | 51264-76-7

• 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: 4-甲酰基-2-乙氧基苯氧基乙酸
• 英文名称: 4-Formyl-2-ethoxyphenoxyacetic acid
• 英文别名: 2-(2-Ethoxy-4-formylphenoxy)acetic acid
• CAS: 51264-76-7
• 化学式: C₁₁H₁₂O₅
• mdl: MFCD01835931
• 分子量: 224.213
• InChiKey: BALVFSVIEQRSSY-UHFFFAOYSA-N

物化性质

• 熔点：
  180 °C
• 沸点：
  403.9±30.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  储存条件为2-8°C，并需保存在惰性气体中。

反应信息

• 作为反应物：
  描述：

  4-甲酰基-2-乙氧基苯氧基乙酸 在 sodium hydroxide 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 5-[4-{(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy}-3-ethoxybenzylidene]thiazolidine-2,4-dione
  参考文献：
  名称：

  Design, synthesis, in silico molecular docking and biological evaluation of novel oxadiazole based thiazolidine-2,4-diones bis-heterocycles as PPAR-γ agonists

  摘要：

  A library of novel 1,3,4-oxadiazole and 2-4-thiazolidinedione based bis-heterocycles 7 (a-r) has been synthesized which exhibited significant PPAR-gamma transactivation and blood glucose lowering effect comparable with the standard drugs Pioglitazone and Rosiglitazone. Compounds 7m and 7r did not cause body weight gain and were found to be free from hepatotoxic and cardiotoxic side effects. Compounds 7m and 7r increased PPAR-gamma gene expression by 2.10 and 2.00 folds, respectively in comparison to the standard drugs Pioglitazone (1.5 fold) and Rosiglitazone (1.0 fold). Therefore the compounds 7m and 7r may be considered as potential candidates for development of new antidiabetic agents. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.09.010
• 作为产物：
  描述：

  乙基香兰素 、 溴乙酸叔丁酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-甲酰基-2-乙氧基苯氧基乙酸
  参考文献：
  名称：

  Aromatic compounds containing basic and acidic termini useful as

  摘要：

  这项发明涉及含有碱性和酸性末端的新化合物，含有这类化合物的药物组合物，制备这类化合物的方法，以及使用这些化合物的方法，单独或与其他治疗剂联合使用，用于抑制血小板聚集，作为溶栓剂，和/或用于治疗血栓栓塞性疾病。

  公开号：

  US05523302A1

文献信息

• [EN] INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE<br/>[FR] INHIBITEURS DE LA SEMIALDÉHYDE DÉCARBOXYLASE DE L'ACIDE ALPHA-AMINO-BÊTA-CARBOXYMUCONIQUE
  申请人：TES PHARMA S R L

  公开号：WO2018069532A1

  公开（公告）日：2018-04-19

  The present disclosure discloses compounds capable of modulating the activity of α- amino-β-carboxymuconic acid semialdehyde decarboxylase (ACMSD), which are useful for the prevention and/or the treatment of diseases and disorders associated with defects in NAD+ biosynthesis, e.g., metabolic disorders, neurodegenerative diseases, chronic inflammatory diseases, kidney diseases, and diseases associated with ageing. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament.

  本公开揭示了能够调节α-氨基-β-羧基琥珀酸半醛脱羧酶（ACMSD）活性的化合物，这些化合物对于预防和/或治疗与NAD+生物合成缺陷相关的疾病和疾病非常有用，例如代谢紊乱、神经退行性疾病、慢性炎症性疾病、肾脏疾病以及与衰老相关的疾病。本申请还揭示了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。
• Design, Synthesis, and Biological Evaluation of Thiazolidine-2,4-dione Conjugates as PPAR-γ Agonists
  作者：Syed Nazreen、Mohammad Sarwar Alam、Hinna Hamid、Mohammad Shahar Yar、Abhijeet Dhulap、Perwez Alam、Mohammad Abdul Qadar Pasha、Sameena Bano、Mohammad Mahboob Alam、Saqlain Haider、Chetna Kharbanda、Yakub Ali、Kolakappi Pillai

  DOI：10.1002/ardp.201400280

  日期：2015.6

  A library of synthesized conjugates of phenoxy acetic acid and thiazolidinedione 5a–m showed potent peroxisome proliferator activated receptor‐γ (PPAR‐γ) transactivation as well as significant blood glucose lowering effect comparable to the standard drugs pioglitazone and rosiglitazone. Most of the compounds showed higher docking scores than the standard drug rosiglitazone in the molecular docking

  苯氧基乙酸和噻唑烷二酮 5a-m 的合成偶联物库显示出有效的过氧化物酶体增殖物激活受体-γ（PPAR-γ）反式激活以及与标准药物吡格列酮和罗格列酮相当的显着降血糖作用。在分子对接研究中，大多数化合物显示出比标准药物罗格列酮更高的对接分数。与标准药物吡格列酮和罗格列酮相比，化合物 5l 和 5m 的 PPAR-γ 反式激活率分别为 54.21% 和 55.41%，分别显示 65.94% 和 82.21% 的激活率。化合物 5l 和 5m 显着降低了 STZ 诱导的糖尿病大鼠的血糖水平。与标准药物吡格列酮相比，化合物 5l 和 5m 降低了 AST、ALT 和 ALP 水平。与标准药物吡格列酮（1.5 倍）和罗格列酮（1.0 倍）相比，化合物 5m（2.00 倍）显着增加了 PPAR-γ 基因表达。化合物 5l 和 5m 不会对肝脏造成任何损害，可被视为开发新型抗糖尿病药物的有希望的候选物。
• DNA-ENCODED CHEMICAL LIBRARY, USE THEREOF, AND METHOD TO SYNTHESIZE THE LIBRARY
  申请人：Technische Universität Dortmund

  公开号：EP3885437A1

  公开（公告）日：2021-09-29

  The present invention relates to a compound library comprising a plurality of conjugate molecules, wherein said conjugates comprise a small organic molecule covalently coupled to a nucleic acid moiety, wherein the nucleic acid moiety comprises or consists of 7-deazapurines and/or 7-deaza-8-azapurines, and, optionally, modified and/or unmodified pyrimidine nucleotides. Further, the present invention relates to the use of said library for screening compounds binding to a target molecule and methods of synthesizing said library.

  本发明涉及一种由多个共轭分子组成的化合物库，其中所述共轭分子包括与核酸分子共价偶联的小有机分子，所述核酸分子包括或由7-脱氮杂嘌呤和/或7-脱氮杂-8-氮杂嘌呤组成，以及可选的修饰和/或未修饰的嘧啶核苷酸。此外，本发明还涉及使用所述文库筛选与靶分子结合的化合物以及合成所述文库的方法。
• LITHIUM ION BATTERIES
  申请人：GM Global Technology Operations LLC

  公开号：US20130071742A1

  公开（公告）日：2013-03-21

  A lithium ion battery includes a positive electrode, a negative electrode, and a microporous polymer separator soaked in an electrolyte solution. The microporous polymer separator is disposed between the positive electrode and the negative electrode. An ion exchange polymer material is any of i) incorporated as a binder in any of the positive electrode or the negative electrode, ii) deposited onto a surface of any of the positive electrode or the negative electrode, iii) incorporated into the microporous polymer separator, or iv) deposited onto a surface of the microporous polymer separator. Examples of methods for making the ion exchange polymer material for use in the lithium ion batteries are also disclosed herein.
• INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE
  申请人：TES Pharma S.r.I.

  公开号：US20180134667A1

  公开（公告）日：2018-05-17

  The present disclosure discloses compounds capable of modulating the activity of α-amino-β-carboxymuconic acid semialdehyde decarboxylase (ACMSD), which are useful for the prevention and/or the treatment of diseases and disorders associated with defects in NAD + biosynthesis, e.g., metabolic disorders, neurodegenerative diseases, chronic inflammatory diseases, kidney diseases, and diseases associated with ageing. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament.