[4-(tert-butoxycarbonyl-methyl-amino)-2-methyl-phenoxy]-acetic acid ethyl ester | 805237-70-1

• 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: [4-(tert-butoxycarbonyl-methyl-amino)-2-methyl-phenoxy]-acetic acid ethyl ester
• 英文别名: ethyl 2-[2-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate
• CAS: 805237-70-1
• 化学式: C₁₇H₂₅NO₅
• 分子量: 323.389
• InChiKey: SAXGJVUMOSDPSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(tert-butoxycarbonyl-methyl-amino)-2-methyl-phenoxy-acetic acid methyl ester 、 [4-(tert-butoxycarbonyl-methyl-amino)-2-methyl-phenoxy]-acetic acid ethyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以38%的产率得到(2-methyl-4-methylamino-phenoxy)-acetic acid ethyl ester
  参考文献：
  名称：

  Aniline derivatives, their manufacture and use as pharmaceuticals

  摘要：

  这项发明涉及以下式的化合物 1 其中 X为N，Y为S或O；或 X为S或O，Y为N； R 1 为氢或C 1-7 -烷基； R 2 和R 3 彼此独立地从氢、C 1-7 -烷基和C 1-7 -烷氧基组成的群中选择； R 4 、R 5 、R 6 和R 7 彼此独立地从氢、C 1-7 -烷基、C 3-7 -环烷基、卤素、C 1-7 -烷氧基、C 1-7 -烷基-C 1-7 -烷氧基-C 1-7 -烷基、C 2-7 -烯基、C 2-7 -炔基、氟代C 1-7 -烷基和氰基中选择； R 8 从氢、C 1-7 -烷基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 9 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 10 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 11 为芳基或杂环芳基； N为0、1或2； 以及所有对映体和药学上可接受的盐和/或酯以及它们作为PPAR激动剂的用途。

  公开号：

  US20040248951A1
• 作为产物：
  描述：

  ethyl 4-(1,1-dimethylethoxycarbonyl)amino-2-methylphenoxyacetate 、 碘甲烷 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 1.17h， 以80%的产率得到[4-(tert-butoxycarbonyl-methyl-amino)-2-methyl-phenoxy]-acetic acid ethyl ester
  参考文献：
  名称：

  Aniline derivatives, their manufacture and use as pharmaceuticals

  摘要：

  这项发明涉及以下式的化合物 1 其中 X为N，Y为S或O；或 X为S或O，Y为N； R 1 为氢或C 1-7 -烷基； R 2 和R 3 彼此独立地从氢、C 1-7 -烷基和C 1-7 -烷氧基组成的群中选择； R 4 、R 5 、R 6 和R 7 彼此独立地从氢、C 1-7 -烷基、C 3-7 -环烷基、卤素、C 1-7 -烷氧基、C 1-7 -烷基-C 1-7 -烷氧基-C 1-7 -烷基、C 2-7 -烯基、C 2-7 -炔基、氟代C 1-7 -烷基和氰基中选择； R 8 从氢、C 1-7 -烷基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 9 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 10 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 11 为芳基或杂环芳基； N为0、1或2； 以及所有对映体和药学上可接受的盐和/或酯以及它们作为PPAR激动剂的用途。

  公开号：

  US20040248951A1

文献信息

• Aniline derivatives, their manufacture and use as pharmaceutical agents
  申请人：Hoffmann-La Roche Inc.

  公开号：US07345067B2

  公开（公告）日：2008-03-18

  This invention relates to compounds of the formula wherein X is N and Y is S or O; or X is S or O and Y is N; R1 is hydrogen or C1-7-alkyl; R2 and R3 independently from each other are selected from the group consisting of hydrogen, C1-7-alkyl and C1-7-alkoxy; R4, R5, R6, and R7 independently from each other are selected from the group consisting of hydrogen, C1-7-alkyl, C3-7-cycloalkyl, halogen, C1-7-alkoxy, C1-7-alkyl-C1-7-alkoxy-C1-7-alkyl, C2-7-alkenyl, C2-7-alkinyl, fluoro-C1-7-alkyl and cyano; R8 is selected from the group consisting of hydrogen, C1-7-alkyl, C3-7-cycloalkyl and fluoro-C1-7-alkyl; R9 is selected from the group consisting of hydrogen, C1-7-alkyl, C2-7-alkinyl, C3-7-cycloalkyl and fluoro-C1-7-alkyl; R10 is selected from the group consisting of hydrogen, C1-7-alkyl, C2-7-alkinyl, C3-7-cycloalkyl and fluoro-C1-7-alkyl; R11 is aryl or heteroaryl; N is 0, 1 or 2; and all enantiomers and pharmaceutically acceptable salts and/or esters thereof and their use as PPAR activators.

  本发明涉及以下式子的化合物： 其中，X为N，Y为S或O；或X为S或O，Y为N； R1为氢或C1-7烷基； R2和R3分别独立地选自氢、C1-7烷基和C1-7烷氧基的群； R4、R5、R6和R7分别独立地选自氢、C1-7烷基、C3-7环烷基、卤素、C1-7烷氧基、C1-7烷基-C1-7烷氧基-C1-7烷基、C2-7烯基、C2-7炔基、氟代C1-7烷基和氰基的群； R8选自氢、C1-7烷基、C3-7环烷基和氟代C1-7烷基的群； R9选自氢、C1-7烷基、C2-7炔基、C3-7环烷基和氟代C1-7烷基的群； R10选自氢、C1-7烷基、C2-7炔基、C3-7环烷基和氟代C1-7烷基的群； R11为芳基或杂环芳基； N为0、1或2； 以及它们的所有对映体和药学上可接受的盐和/或酯，并用作PPAR激动剂。
• ANILINE DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1636198A1

  公开（公告）日：2006-03-22
• US7345067B2
  申请人：——

  公开号：US7345067B2

  公开（公告）日：2008-03-18
• [EN] ANILINE DERIVATIVES<br/>[FR] DERIVES D'ANILINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004111020A1

  公开（公告）日：2004-12-23

  This invention relates to compounds of the formula (I); wherein X, Y, R1 to R11 and n are as defined in the description, and all enantiomers; and pharmaceutically acceptable salts and/or esters thereof. The invention further relates to pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are modulated by PPARδ and/or PPARα agonists. Examples of such diseases are diabetes, particularly non-insulin dependent diabetes mellitus, increased lipid and cholesterol levels, particularly low HDL-cholesterol; high LDL- cholesterol, or high triglyceride levels, atherosclerotic diseases, metabolic syndrome (syndrome X), elevated blood pressure, endothelial dysfunction, procoagulant state, dyslipidemia, polycystic ovary syndrome, inflammatory diseases such as rheumatoid arthritis, osteoarthritis, psoriasis and other skin disorder, and proliferative diseases.
• Aniline derivatives, their manufacture and use as pharmaceuticals
  申请人：——

  公开号：US20040248951A1

  公开（公告）日：2004-12-09

  This invention relates to compounds of the formula 1 wherein X is N and Y is S or O; or X is S or O and Y is N; R 1 is hydrogen or C 1-7 -alkyl; R 2 and R 3 independently from each other are selected from the group consisting of hydrogen, C 1-7 -alkyl and C 1-7 -alkoxy; R 4 , R 5 , R 6 , and R 7 independently from each other are selected from the group consisting of hydrogen, C 1-7 -alkyl, C 3-7 -cycloalkyl, halogen, C 1-7 -alkoxy, C 1-7 -alkyl-C 1-7 -alkoxy-C 1-7 -alkyl, C 2-7 -alkenyl, C 2-7 -alkinyl, fluoro-C 1-7 -alkyl and cyano; R 8 is selected from the group consisting of hydrogen, C 1-7 -alkyl, C 3-7 -cycloalkyl and fluoro-C 1-7 -alkyl; R 9 is selected from the group consisting of hydrogen, C 1-7 -alkyl, C 2-7 -alkinyl, C 3-7 -cycloalkyl and fluoro-C 1-7 -alkyl; R 10 is selected from the group consisting of hydrogen, C 1-7 -alkyl, C 2-7 -alkinyl, C 3-7 -cycloalkyl and fluoro-C 1-7 -alkyl; R 11 is aryl or heteroaryl; N is 0, 1 or 2; and all enantiomers and pharmaceutically acceptable salts and/or esters thereof and their use as PPAR activators.

  这项发明涉及以下式的化合物 1 其中 X为N，Y为S或O；或 X为S或O，Y为N； R 1 为氢或C 1-7 -烷基； R 2 和R 3 彼此独立地从氢、C 1-7 -烷基和C 1-7 -烷氧基组成的群中选择； R 4 、R 5 、R 6 和R 7 彼此独立地从氢、C 1-7 -烷基、C 3-7 -环烷基、卤素、C 1-7 -烷氧基、C 1-7 -烷基-C 1-7 -烷氧基-C 1-7 -烷基、C 2-7 -烯基、C 2-7 -炔基、氟代C 1-7 -烷基和氰基中选择； R 8 从氢、C 1-7 -烷基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 9 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 10 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 11 为芳基或杂环芳基； N为0、1或2； 以及所有对映体和药学上可接受的盐和/或酯以及它们作为PPAR激动剂的用途。