(E)-3-[2-methyl-4-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl }methoxy)phenyl]-2-propenoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-[2-methyl-4-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl }methoxy)phenyl]-2-propenoic acid
• 英文别名: (E)-3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-acrylic acid；(E)-3-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]prop-2-enoic acid
• 化学式: C₂₂H₁₈F₃NO₃S
• 分子量: 433.451
• InChiKey: MRQBQZNVLNJRQR-UXBLZVDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(三氟甲基)硫代苯甲酰胺 在 lithium hydroxide 、 lithium aluminium tetrahydride 、 caesium carbonate 、 甲基磺酰氯 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 16.0h， 生成 (E)-3-[2-methyl-4-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl }methoxy)phenyl]-2-propenoic acid
  参考文献：
  名称：

  Novel selective small molecule agonists for peroxisome proliferator-activated receptor δ (PPARδ)—synthesis and biological activity

  摘要：

  We report the synthesis and biological activity of a new series of small molecule agonists of the human Peroxisome Proliferator-Activated Receptor delta (PPARdelta). Several hits were identified from our original libraries containing lipophilic carboxylic acids. Optimization of these hits by structure-guided design led to 7k (GW501516) and 71 (GW0742), which shows an EC50 Of 1.1 nM against PPARdelta with 1000-fold selectivity over the other human subtypes. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00207-5

文献信息

• [EN] N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS<br/>[FR] PYRROLES DE N-ALKYL COMME INHIBITEURS DE L'HMG-COA-REDUCTASE
  申请人：WARNER LAMBERT CO

  公开号：WO2005056004A1

  公开（公告）日：2005-06-23

  HMGCo-A reductase inhibitor compounds useful as hypocholesterolemic and hypolipidemic compounds are provided. Also provided are pharmaceutical compositions of the compounds. Methods of making and methods of using the compounds are also provided. Formula (I).

  提供了作为降胆固醇和降脂化合物有用的HMGCo-A还原酶抑制剂化合物。还提供了这些化合物的药物组合物。还提供了制备这些化合物的方法和使用这些化合物的方法。公式（I）。
• Novel imidazoles
  申请人：Bolton Louis Gary

  公开号：US20050239857A1

  公开（公告）日：2005-10-27

  Novel imidazoles are provided. The compounds are useful as HMGCo-A Reductase Inhibitor. Also provided are pharmaceutical compositions of the compounds. Methods of making and methods of using the compounds are also provided.

  提供了新型咪唑类化合物。这些化合物可用作HMGCo-A还原酶抑制剂。还提供了这些化合物的药物组合物。还提供了制备这些化合物的方法和使用这些化合物的方法。
• Novel pyrazole-based HMG CoA reductase inhibitors
  申请人：Choi Chulho

  公开号：US20060111422A1

  公开（公告）日：2006-05-25

  Novel compounds and pharmaceutical compositions useful as hypocholesterolemic and hypolipidemic agents are described. More specifically, potent inhibitors of the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase (“HMG CoA reductase”) are described. Methods of using such compounds and compositions to treat subjects, including humans, suffering from hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, atherosclerosis, Alzheimer's Disease, benign prostatic hypertrophy (BPH), diabetes and osteoporosis are also described.

  描述了作为降胆固醇和降脂血症药物的新化合物和制剂。更具体地，描述了对酶3-羟基-3-甲基戊二酰辅酶A还原酶（“HMG CoA还原酶”）的强效抑制剂。还描述了使用这些化合物和制剂来治疗患有高脂血症、高胆固醇血症、高甘油三酯血症、动脉粥样硬化、阿尔茨海默病、良性前列腺肥大（BPH）、糖尿病和骨质疏松症等疾病的受试者，包括人类的方法。
• [EN] IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS<br/>[FR] INHIBITEURS DE L'HMG-COA REDUCTASE UTILISANT UN IMIDAZOLE
  申请人：WARNER LAMBERT CO

  公开号：WO2005079790A1

  公开（公告）日：2005-09-01

  HMG-Co-A reductase inhibitor compounds useful as hypocholesterolemic and hypolipidemic agents are provided. Also provided are pharmaceutical compositions of the compounds. Methods of making and methods of using the compounds are also provided.

  提供了作为降胆固醇和降脂血症药物有用的HMG-CoA还原酶抑制剂化合物。还提供了这些化合物的药物组合物。同时还提供了制备这些化合物的方法和使用这些化合物的方法。
• Medicaments
  申请人：——

  公开号：US20040029938A1

  公开（公告）日：2004-02-12

  Methods or prevention or treatment of diseases or conditions where inhibition of NO synthase and/or TNF is desirable, the use of PPAR delta activators in such methods and methods for the identification of compounds useful in such treatment.

  抑制NO合酶和/或TNF有利于疾病或病症的预防或治疗的方法，使用PPAR δ激动剂进行这些方法，并用于识别在此类治疗中有用的化合物的方法。