2-[4-(3-methanesulfonyloxy-propyl)-phenoxy]-2-methyl-propionic acid ethyl ester | 851124-42-0

• 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: 2-[4-(3-methanesulfonyloxy-propyl)-phenoxy]-2-methyl-propionic acid ethyl ester
• 英文别名: ethyl-2-methyl-2-[4-(3-methanesulfonyloxypropyl)phenoxy]propionate；ethyl 2-methyl-2-[4-(3-methylsulfonyloxypropyl)phenoxy]propanoate
• CAS: 851124-42-0
• 化学式: C₁₆H₂₄O₆S
• 分子量: 344.429
• InChiKey: POMMQMVBAGAKDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  487.0±30.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[4-(3-methanesulfonyloxy-propyl)-phenoxy]-2-methyl-propionic acid ethyl ester 在 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以90%的产率得到ethyl-2-methyl-2-[4-(3-iodopropyl)phenoxy]propanoate
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] NOUVEAUX COMPOSES ET LEUR UTILISATION EN MEDECINE, LEUR PROCEDE DE PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  公开号：

  WO2005040102A3
• 作为产物：
  描述：

  ethyl 2-[4-(3-hydroxypropyl)phenoxy]-2-methylpropanoate 、 甲基磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以66%的产率得到2-[4-(3-methanesulfonyloxy-propyl)-phenoxy]-2-methyl-propionic acid ethyl ester
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] NOUVEAUX COMPOSES ET LEUR UTILISATION EN MEDECINE, LEUR PROCEDE DE PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  公开号：

  WO2005040102A3

文献信息

• Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them
  申请人：Debnath Bhunia

  公开号：US20070093476A1

  公开（公告）日：2007-04-26

  The present invention relates to novel compounds of formula (I) and their pharmaceutically acceptable salts, wherein ring “Ar 1 ” represents a monocyclic or polycyclic aromatic or partially saturated aromatic polycyclic, which may optionally contain up to 3 heteroatoms selected from N, S or O. The said monocyclic or polycyclic ring may be unsubstituted or have up to 4 substituents which may be identical or different; m and n independently represents an integer from 0 to 6; A represents O, S or bond; Y is selected from (CH 2 ) p′ (CH 2 ) p B(CH 2 ) q′ (CH 2 ) r B(CH 2 ) p D(CH 2 ) p′ where p, q and r each independently represents an integer from 0 to 6; B and D independently represents S, O, NR 4 or a bond, with a proviso that when B and D represents hereto atom p is not zero; R 4 represents hydrogen, alkyl, alkenyl, —S(O) 2 —R 8 or —C(O)R 8 where R 8 is alkyl, alkoxy; R 5 and R 6 independently represents hydrogen, alkyl, cycloalkyl or alkoxy; R 5 and R 6 together may form 3-8 membered cyclic ring which may optionally contains one or two hereto atoms selected from O, S or N; R 7 represents hydrogen, optionally substituted groups selected form alkyl, cycloalkyl, alkenyl or alkynyl. The present invention also relates to a process for preparation of compounds of formula (I), to pharmaceutical compositions containing compounds of formula (I) and their use in particular as antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic agents.

  本发明涉及公式（I）的新化合物及其药学上可接受的盐，其中环“Ar1”表示单环或多环芳香或部分饱和芳香多环，可选含有最多3个选自N、S或O的杂原子。所述的单环或多环环可以未取代或具有最多4个相同或不同的取代基；m和n分别表示0到6的整数；A表示O、S或键；Y选自（CH2）p′（CH2）pB（CH2）q′（CH2）rB（CH2）pD（CH2）p′，其中p、q和r各自独立地表示0到6的整数；B和D分别表示S、O、NR4或键，条件是当B和D表示杂原子时，p不为零；R4表示氢、烷基、烯基、—S（O）2—R8或—C（O）R8，其中R8为烷基、烷氧基；R5和R6各自独立地表示氢、烷基、环烷基或烷氧基；R5和R6可以一起形成3-8成员环，该环可以选择性地包含选自O、S或N的一个或两个杂原子；R7表示氢、可选地从烷基、环烷基、烯基或炔基中选择的取代基。本发明还涉及公式（I）化合物的制备方法，含有公式（I）化合物的制药组合物以及其作为抗糖尿病、降脂、抗肥胖和降胆固醇药物的应用。
• Fibrate Compounds Having Ppar Agonist Activity
  申请人：Das Saibal Kumar

  公开号：US20080114005A1

  公开（公告）日：2008-05-15

  There are provided derivatives having PPAR agonist activity. The derivatives include compounds and/or their pharmaceutically acceptable salts; the compounds having the formula (I) wherein A has the structure (II) or (III); X is chosen from —CH 2 —, —O—, —NH—, and —S—; Y is chosen from —O—, —NH—, and —S—; Z, which may be located in any position of substitution, is hydrogen or halogen; R 1 and R 2 , which may be the same or different, are independently chosen from hydrogen and C 1 -C 8 alkyl, or R 1 and R 2 together form a carbocyclic ring having from 4 to 6 carbon atoms; R 3 is chosen from hydrogen and C 1 -C 8 alkyl; R 4 , R 5 , and R 6 , which may be the same or different, are independently chosen from hydrogen and C 1 -C 8 alkyl; and n is 1 to 6. Various embodiments and variants are provided. In accordance with other aspects, the invention also provides methods of producing a PPARα agonist activity in a mammal, the methods including administering to the mammal an effective amount of certain derivative(s) of the first aspect of the invention, a method of producing a PPARα agonist activity and a PPARα agonist activity in a mammal, the method including administering to the mammal an effective amount of certain derivative(s); and a pharmaceutical composition that includes the derivative(s) of the first aspect of the invention and one or more pharmaceutically-acceptable excipients. Various embodiments and variants are provided.

  提供了具有PPAR激动剂活性的衍生物。这些衍生物包括化合物和/或其药学上可接受的盐；其中化合物具有公式（I），其中A具有结构（II）或（III）；X选择自—CH2—，—O—，—NH—和—S—；Y选择自—O—，—NH—和—S—；Z可以位于任何取代位置，是氢或卤素；R1和R2，可以相同也可以不同，独立地选择自氢和C1-C8烷基，或者R1和R2共同形成具有4到6个碳原子的碳环；R3选择自氢和C1-C8烷基；R4，R5和R6，可以相同也可以不同，独立地选择自氢和C1-C8烷基；n为1到6。提供了各种实施例和变体。根据其他方面，本发明还提供在哺乳动物中产生PPARα激动剂活性的方法，该方法包括向哺乳动物投与某些第一方面的衍生物的有效量，一种产生PPARα激动剂活性的方法和在哺乳动物中的PPARα激动剂活性，该方法包括向哺乳动物投与某些衍生物的有效量；以及包括第一方面的衍生物和一个或多个药学上可接受的辅料的药物组合物。提供了各种实施例和变体。
• [EN] FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY<br/>[FR] COMPOSES DE FIBRATE POSSEDANT UNE ACTIVITE AGONISTE PPAR
  申请人：REDDYS LAB LTD DR

  公开号：WO2006029075A3

  公开（公告）日：2007-07-12
• NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP1680397A2

  公开（公告）日：2006-07-19
• EP1793828A4
  申请人：——

  公开号：EP1793828A4

  公开（公告）日：2009-09-02