Methyl 2-[4-(dimethylcarbamothioyloxy)-2-methylphenoxy]acetate | 583883-84-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-[4-(dimethylcarbamothioyloxy)-2-methylphenoxy]acetate
• CAS: 583883-84-5
• 化学式: C₁₃H₁₇NO₄S
• 分子量: 283.348
• InChiKey: GNLUJDAGFZBVIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  366.1±52.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2-[4-(dimethylcarbamothioyloxy)-2-methylphenoxy]acetate 在 甲醇 、 sodium methylate 作用下， 以 various solvent(s) 为溶剂， 反应 16.0h， 生成 methyl (4-mercapto-2-methyl-phenoxy)-acetate
  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
• 作为产物：
  描述：

  4-羟基-3-甲基苯乙酮 在 甲醇 、 4-二甲氨基吡啶 、 sodium methylate 、 caesium carbonate 、 对甲苯磺酸 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙腈 为溶剂， 反应 38.0h， 生成 Methyl 2-[4-(dimethylcarbamothioyloxy)-2-methylphenoxy]acetate
  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

• Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same
  申请人：Kang Heon Joong

  公开号：US20090118516A1

  公开（公告）日：2009-05-07

  The present invention provides a process for preparing thiazole derivatives of formula (I), that activate the delta subtype of the human Peroxisome Proliferator Activated Receptor (hPPAR δ), and also provides compounds of formula (II), (IV), (X), (XI) and (XII), intermediate compounds for preparation of the above compounds of formula (I).

  本发明提供了一种制备式(I)的噻唑衍生物的过程，该噻唑衍生物可以激活人类过氧化物酶体增殖物激活受体(hPPAR δ)的δ亚型，同时还提供了式(II)、(IV)、(X)、(XI)和(XII)的化合物，这些化合物是制备上述式(I)的中间体。
• Process for preparing thiazole derivative and the intermediate compounds for preparing the same
  申请人：Kang Heonjoong

  公开号：US20070179300A1

  公开（公告）日：2007-08-02

  The present invention provides a process for preparing thiazole derivatives of formula (XI), that activate the delta subtype of the human Peroxisome Proliferator Activated Receptor (hPPARδ), and also provides processes for compounds of formula (VI), (VII), (VIII) and (IX), intermediate compounds for preparation of the above compounds of formula (XI).

  本发明提供了一种制备式（XI）的噻唑衍生物的过程，该衍生物可以激活人类过氧化物酶体增殖物激活受体（hPPARδ）的δ亚型，并且还提供了制备式（VI）、（VII）、（VIII）和（IX）的化合物的过程，这些化合物是制备上述式（XI）化合物的中间体化合物。
• PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME
  申请人：Kang Heon Joong

  公开号：US20110184186A1

  公开（公告）日：2011-07-28

  The present invention provides a process for preparing thiazole derivatives of formula (I), that activate the delta subtype of the human Peroxisome Proliferator Activated Receptor (hPPAR δ), and also provides compounds of formula (II), (IV), (X), (XI) and (XII), intermediate compounds for preparation of the above compounds of formula (I).

  本发明提供了一种制备式(I)的噻唑衍生物的过程，该衍生物能激活人类过氧化物酶体增殖物激活受体(hPPARδ)的δ亚型，并提供了式(II)、(IV)、(X)、(XI)和(XII)的化合物，这些化合物是上述式(I)的制备的中间体。
• PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME
  申请人：Seoul National University Industry Foundation

  公开号：EP1501811B1

  公开（公告）日：2009-07-15
• US7241901B2
  申请人：——

  公开号：US7241901B2

  公开（公告）日：2007-07-10