2-甲基-2-(3-甲基苯氧基)丙酸 | 53498-64-9

• 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: 2-甲基-2-(3-甲基苯氧基)丙酸
• 中文别名: 丙酸,2-甲基-2-(3-甲基苯氧基)-；丙酸,2-甲基-2-(M-甲苯氧基)-；2-甲基-2-(M-甲苯氧基)丙酸
• 英文名称: α-(3-methylphenoxy)isobutyric acid
• 英文别名: 2-<3-Methyl-phenoxy>-isobuttersaeure；2-(m-tolyloxy)isobutyric acid；2-methyl-2-m-tolyloxypropionic acid；α-m-tolyloxy-isobutyric acid；α-m-Tolyloxy-isobuttersaeure；α-m-Kresoxy-isobuttersaeure；2-Methyl-2-(3-methylphenoxy)propanoic acid
• CAS: 53498-64-9
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD01365790
• 分子量: 194.23
• InChiKey: SURFMLIOSFSAPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-甲基-2-(3-甲基苯氧基)丙酸 在 一水合肼 作用下， 以 乙醇 为溶剂， 以88%的产率得到2-甲基-2-(3-甲基苯氧基)丙酰肼
  参考文献：
  名称：

  Ramalingam; Sattur, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 7, p. 611 - 613

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium 3-methylphenoxide 在 氢氧化钾 作用下， 生成 2-甲基-2-(3-甲基苯氧基)丙酸
  参考文献：
  名称：

  Bischoff, Chemische Berichte, 1900, vol. 33, p. 1254

  摘要：

  DOI：

文献信息

• [EN] N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG<br/>[FR] MODULATEURS N-BENZYLBENZIMIDAZOLES DE PPARG
  申请人：RIPKA AMY S

  公开号：WO2013078233A1

  公开（公告）日：2013-05-30

  The invention provides molecular entities that bind with high affinity to PPARG (PPARϒ), inhibit cdk5-mediated phosphorylation of PPARG, but do not exert an agonistic effect on PPARG. Compounds of the invention can be used for treatment of conditions in patients wherein PPARG plays a role, such as diabetes or obesity. Methods of preparation of the compounds, bioassay methods for evaluating compounds of the invention as non-agonistic PPARG binding compounds, and pharmaceutical compositions are also provided.

  本发明提供了与PPARG（PPARϒ）高亲和力结合的分子实体，抑制cdk5介导的PPARG磷酸化，但不对PPARG产生激动作用。本发明的化合物可用于治疗PPARG在糖尿病或肥胖等病患中起作用的情况。本发明还提供了制备该化合物的方法、用于评估该化合物作为非激动性PPARG结合化合物的生物测定方法，以及制药组合物。
• The formation of benzoxacin-3-ones <i>via</i> intramolecular Nicholas reactions and synthesis of 8-membered heliannuols
  作者：Brent St. Onge、James R. Green

  DOI：10.1039/d1ob01395e

  日期：——

  reactions to give dehydrobenzoxacin-3-one-Co2(CO)6 complexes in good yields. Reductive decomplexation and subsequent manipulation allows the synthesis of (±)-heliannuol K methyl ether and the formal syntheses of (±)-heliannuol K, (±)-heliannuol A, and (−)-heliannuol L.

  由炔丙基醚-Co 2 (CO) 6配合物产生的 γ-羰基阳离子进行分子内尼古拉斯反应，以良好的收率得到 dehydrobenzoxacin-3-one-Co 2 (CO) 6配合物。还原解络和随后的操作允许合成 (±)-heliannuol K 甲基醚和 (±)-heliannuol K、(±)-heliannuol A 和 (-)-heliannuol L 的正式合成。
• Synthesis and Preliminary Antihyperlipidaemic Activities Evaluation of Andrographolide Derivatives
  作者：Bin Wang、Chunlei Tang、Yaodan Han、Ruzhou Guo、Hai Qian、Wenlong Huang

  DOI：10.2174/157340612800493629

  日期：2012.4.26

  Recent studies indicated that andrographolide was a potential antihyperlipidaemic therapeutic agent. In the paper, the synthesis of a series of andrographolide derivatives was described and their antihyperlipidaemic activities were evaluated in vivo. As compared with TG, TC, HDL-C and LDL-C concentrations, some of the derivatives exhibited better antihyperlipidaemic effects than positive control atromide. Therein, compound 6i, which was the most potent compound, could serve as a new lead for further development of antihyperlipidaemic agents.

  最近的研究表明，穿心莲内酯是一种潜在的抗高脂血症治疗药物。本文描述了一系列穿心莲内酯衍生物的合成，并评估了它们在体内的抗高脂血症活性。与甘油三酯（TG）、总胆固醇（TC）、高密度脂蛋白胆固醇（HDL-C）和低密度脂蛋白胆固醇（LDL-C）浓度相比，一些衍生物表现出的抗高脂血症效果优于阳性对照药物阿托洛伐。值得注意的是，化合物6i是最有效的化合物，可以作为进一步开发抗高脂血症药物的新先导。
• Design, synthesis and hypolipidemic activity of novel 2-(m-tolyloxy) isobutyric acid derivatives
  作者：Gamal A. Idrees、Gamal El-Din A. Abuo-Rahma、Omar M. Aly、Mohamed F. Radwan

  DOI：10.1016/j.ejmech.2008.12.009

  日期：2009.6

  Novel 2-substituted isobutyric acid derivatives were synthesized and their hypolipidemic activity was evaluated in high cholesterol diet fed rat model. The amide 5a was found to decrease the levels of serum total cholesterol, LDL cholesterol and triglycerides in hyperlipidemic rats to a greater degree than the reference gemfibrozil.

  合成了新型的2-取代异丁酸衍生物，并在高胆固醇饮食喂养的大鼠模型中评估了它们的降血脂活性。已发现，与参考吉非贝齐相比，酰胺5a可以在高脂血症大鼠中降低血清总胆固醇，LDL胆固醇和甘油三酸酯的水平。
• 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS
  申请人：Lim Sungtaek

  公开号：US20070244131A1

  公开（公告）日：2007-10-18

  The present invention is directed to a compound of Formula (I) wherein Cy 1 , Cy 2 , L 1 , L 2 , and R 1 are as defined herein, a pharmaceutical composition comprising a pharmaceutically effective amount of one or more compounds according to Formula (I) in admixture with a pharmaceutically acceptable carrier, and a method of treating a patient suffering from a PGD2-mediated disorder including, but not limited to, allergic disease (such as allergic rhinitis, allergic conjunctivitis, atopic dermatitis, bronchial asthma and food allergy), systemic mastocytosis, disorders accompanied by systemic mast cell activation, anaphylaxis shock, bronchoconstriction, bronchitis, urticaria, eczema, diseases accompanied by itch (such as atopic dermatitis and urticaria), diseases (such as cataract, retinal detachment, inflammation, infection and sleeping disorders) which is generated secondarily as a result of behavior accompanied by itch (such as scratching and beating), inflammation, chronic obstructive pulmonary diseases, ischemic reperfusion injury, cerebrovascular accident, chronic rheumatoid arthritis, pleurisy, ulcerative colitis and the like by administering to said patient a pharmaceutically effective amount of a compound according to Formula (I).

  本发明涉及一种式（I）的化合物，其中Cy1，Cy2，L1，L2和R1如本文所定义，一种制药组合物，包括一种或多种按照式（I）的化合物的药物有效量与药学可接受载体的混合物，以及一种治疗患有PGD2介导的疾病的患者的方法，包括但不限于过敏性疾病（如过敏性鼻炎，过敏性结膜炎，特应性皮炎，支气管哮喘和食物过敏），全身性肥大细胞病，伴随全身性肥大细胞激活的疾病，过敏性休克，支气管收缩，支气管炎，荨麻疹，湿疹，伴随瘙痒的疾病（如特应性皮炎和荨麻疹），疾病（如白内障，视网膜脱落，炎症，感染和睡眠障碍），这些疾病是由于伴随瘙痒的行为（如搔抓和敲打）而次生产生的，炎症，慢性阻塞性肺疾病，缺血再灌注损伤，脑血管意外，慢性类风湿性关节炎，胸膜炎，溃疡性结肠炎等，通过向该患者注射按照式（I）的化合物的药物有效量。