(4-methoxy-3-trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester | 828252-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-methoxy-3-trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester
• 英文别名: Methyl 2-[4-methoxy-3-(trifluoromethylsulfonyloxy)phenyl]acetate
• CAS: 828252-27-3
• 化学式: C₁₁H₁₁F₃O₆S
• 分子量: 328.266
• InChiKey: ZJXOUFGMTPHHQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (4-methoxy-3-trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester 在 镍 盐酸 、 lithium hydroxide 、 N-氯代丁二酰亚胺 、 四(三苯基膦)钯 、 甲酸 、 盐酸羟胺 、 双(三甲基硅烷基)氨基钾 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 58.5h， 生成 (3-{4-[2-(2,4-Dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-4-methoxy-phenyl)-acetic acid
  参考文献：
  名称：

  3,4,5-Trisubstituted isoxazoles as novel PPARδ agonists. Part 2

  摘要：

  A series of PPARdelta-selective agonists was investigated and optimized for a favorable in vivo pharmacokinetic profile. Isoxazole LCI765 (17d) was found to be a potent and selective PPARdelta agonist with good in vivo PK properties in mouse (C(max)=5.1 microM, t(1/2)=3.1 h). LCI765 regulated expression of genes involved in energy homeostasis in relevant tissues when dosed orally in C57BL6 mice. A co-crystal structure of compound LCI765 and the LBD of PPARdelta is discussed.

  DOI：

  10.1016/j.bmcl.2006.08.052
• 作为产物：
  描述：

  3-羟基-4-甲氧基苯乙酸 在 硫酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 9.0h， 生成 (4-methoxy-3-trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester
  参考文献：
  名称：

  3,4,5-Trisubstituted isoxazoles as novel PPARδ agonists. Part 2

  摘要：

  A series of PPARdelta-selective agonists was investigated and optimized for a favorable in vivo pharmacokinetic profile. Isoxazole LCI765 (17d) was found to be a potent and selective PPARdelta agonist with good in vivo PK properties in mouse (C(max)=5.1 microM, t(1/2)=3.1 h). LCI765 regulated expression of genes involved in energy homeostasis in relevant tissues when dosed orally in C57BL6 mice. A co-crystal structure of compound LCI765 and the LBD of PPARdelta is discussed.

  DOI：

  10.1016/j.bmcl.2006.08.052

文献信息

• Indolinone hydrazides as c-Met inhibitors
  申请人：Koenig Marcel

  公开号：US20060009493A1

  公开（公告）日：2006-01-12

  The present invention relates to compounds of the formulae (I)-(XII), wherein R 1 -R 71 , A, B, X, Y, G, L and Z are defined herein, and their pharmaceutically acceptable salts. These compounds modulate the activity of c-Met and are therefore expected to be useful in the prevention and treatment of c-Met related disorders such as cancer.

  本发明涉及式(I)-(XII)的化合物，其中R1-R71、A、B、X、Y、G、L和Z在此定义，并且它们的药学上可接受的盐。这些化合物调节c-Met的活性，因此预计在预防和治疗与c-Met相关的疾病，如癌症方面有用。
• [EN] INDOLINONE HYDRAZIDES AS C-MET INHIBITORS<br/>[FR] HYDRAZIDES D'INDOLINONE UTILISES EN TANT QU'INHIBITEURS DU RECEPTEUR C-MET
  申请人：SUGEN INC

  公开号：WO2005005378A3

  公开（公告）日：2005-03-03
• INDOLINONE HYDRAZIDES AS C-MET INHIBITORS
  申请人：Sugen, Inc.

  公开号：EP1644362A2

  公开（公告）日：2006-04-12
• 3,4,5-Trisubstituted isoxazoles as novel PPARδ agonists. Part 2
  作者：Robert Epple、Mihai Azimioara、Ross Russo、Yongping Xie、Xing Wang、Christopher Cow、John Wityak、Don Karanewsky、Badry Bursulaya、Andreas Kreusch、Tove Tuntland、Andrea Gerken、Maya Iskandar、Enrique Saez、H. Martin Seidel、Shin-Shay Tian

  DOI：10.1016/j.bmcl.2006.08.052

  日期：2006.11

  A series of PPARdelta-selective agonists was investigated and optimized for a favorable in vivo pharmacokinetic profile. Isoxazole LCI765 (17d) was found to be a potent and selective PPARdelta agonist with good in vivo PK properties in mouse (C(max)=5.1 microM, t(1/2)=3.1 h). LCI765 regulated expression of genes involved in energy homeostasis in relevant tissues when dosed orally in C57BL6 mice. A co-crystal structure of compound LCI765 and the LBD of PPARdelta is discussed.