(3-(2,6-Dimethylbenzyloxy)-phenyl)-oxoacetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (3-(2,6-Dimethylbenzyloxy)-phenyl)-oxoacetic acid
• 英文别名: 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-2-oxoacetic acid
• 化学式: C₁₇H₁₆O₄
• 分子量: 284.31
• InChiKey: CHFNGPIHODQYIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(2,6-dimethylbenzyloxy)acetophenone 、 二氧化硒 、 碳酸氢钠 在 硒 、 碳 、 乙醚 、 Sodium sulfate-III 作用下， 以 吡啶 为溶剂， 反应 6.0h， 以to yield a white solid (0.5 g)的产率得到(3-(2,6-Dimethylbenzyloxy)-phenyl)-oxoacetic acid
  参考文献：
  名称：

  Compounds for the treatment of metabolic disorders

  摘要：

  本发明揭示了用于治疗各种代谢性疾病的药物，例如胰岛素抵抗综合征、糖尿病、高脂血症、脂肪肝病、消瘦、肥胖症、动脉粥样硬化和动脉硬化。其中，公式（I）中，n为1或2；m为0至4；q为0或1；t为0或1；R2为具有1至3个碳原子的烷基；R3为氢、卤素、具有1至3个碳原子的烷基或具有1至3个碳原子的烷氧基；A为苯基，未取代或由1或2个选择自：卤素、具有1或2个碳原子的烷基、全氟甲基、具有1或2个碳原子的烷氧基和全氟甲氧基的基团取代；或具有3至6个环碳原子的环烷基，其中环烷基未取代或一个或两个环碳原子独立地被甲基或乙基单取代；或具有1或2个选择自N、S和O的环外杂环的5或6元杂环，且杂环与公式（I）的余下部分通过环碳原子共价结合；R1为氢或具有1或2个碳原子的烷基。或者，当R1为氢时，生物活性剂可以是公式（I）化合物的药学上可接受的盐。

  公开号：

  US20070173544A1

文献信息

• COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：Hodge Kirvin L.

  公开号：US20090005451A1

  公开（公告）日：2009-01-01

  Agents useful for the treatment of various metabolic disorders, such as insulin resistance syndrome, diabetes, hyperlipidemia, fatty liver disease, cachexia, obesity, atherosclerosis and arteriosclerosis are disclosed. wherein n is 1 or 2; m is 0 to 4; q is 0 or 1; t is 0 or 1; R 2 is alkyl having from 1 to 3 carbon atoms; R 3 is hydrogen, halo, alkyl having from 1 to 3 carbon atoms, or alkoxy having from 1 to 3 carbon atoms; A is phenyl, unsubstituted or substituted by 1 or 2 groups selected from: halo, alkyl having 1 or 2 carbon atoms, perfluoromethyl, alkoxy having 1 or 2 carbon atoms, and perfluoromethoxy; or cycloalkyl having from 3 to 6 ring carbon atoms wherein the cycloalkyl is unsubstituted or one or two ring carbons are independently mono-substituted by methyl or ethyl; or a 5 or 6 membered heteroaromatic ring having 1 or 2 ring heteroatoms selected from N, S and O and the heteroaromatic ring is covalently bound to the remainder of the compound of formula I by a ring carbon; and R 1 is hydrogen or alkyl having 1 or 2 carbon atoms. Alternatively, when R 1 is hydrogen, the biologically active agent can be a pharmaceutically acceptable salt of the compound of Formula I.

  本发明揭示了治疗各种代谢紊乱疾病的药剂，例如胰岛素抵抗综合症、糖尿病、高脂血症、脂肪肝病、消瘦、肥胖症、动脉硬化和动脉粥样硬化等。其中n为1或2；m为0到4；q为0或1；t为0或1；R2为具有1到3个碳原子的烷基；R3为氢、卤素、具有1到3个碳原子的烷基或具有1到3个碳原子的烷氧基；A为苯基，未取代或通过选择的1或2个基团进行取代，所述基团选择自：卤素、具有1或2个碳原子的烷基、全氟甲基、具有1或2个碳原子的烷氧基和全氟甲氧基；或具有3到6个环碳原子的环烷基，其中所述环烷基未取代或其中一或两个环碳原子独立地被甲基或乙基单取代；或具有1或2个环杂原子（所述环杂原子选择自N、S和O）的5或6元杂环环，所述杂环环通过环碳原子与公式I的余下部分共价结合；以及R1为氢或具有1或2个碳原子的烷基。或者，当R1为氢时，生物活性药剂可以是公式I化合物的药学上可接受的盐。
• Compositions for the treatment of metabolic disorders
  申请人：Wellstat Therapeutics Corporation

  公开号：US07749990B2

  公开（公告）日：2010-07-06

  Agents useful for the treatment of various metabolic disorders, such as insulin resistance syndrome, diabetes, hyperlipidemia, fatty liver disease, cachexia, obesity, atherosclerosis and arteriosclerosis are disclosed. wherein n is 1 or 2; m is 0 to 4; q is 0 or 1; t is 0 or 1; R2 is alkyl having from 1 to 3 carbon atoms; R3 is hydrogen, halo, alkyl having from 1 to 3 carbon atoms, or alkoxy having from 1 to 3 carbon atoms; A is phenyl, unsubstituted or substituted by 1 or 2 groups selected from: halo, alkyl having 1 or 2 carbon atoms, perfluoromethyl, alkoxy having 1 or 2 carbon atoms, and perfluoromethoxy; or cycloalkyl having from 3 to 6 ring carbon atoms wherein the cycloalkyl is unsubstituted or one or two ring carbons are independently mono-substituted by methyl or ethyl; or a 5 or 6 membered heteroaromatic ring having 1 or 2 ring heteroatoms selected from N, S and O and the heteroaromatic ring is covalently bound to the remainder of the compound of formula I by a ring carbon; and R1 is hydrogen or alkyl having 1 or 2 carbon atoms. Alternatively, when R1 is hydrogen, the biologically active agent can be a pharmaceutically acceptable salt of the compound of Formula I.

  本发明揭示了用于治疗各种代谢性疾病的药剂，例如胰岛素抵抗综合症、糖尿病、高脂血症、脂肪肝病、消瘦症、肥胖症、动脉粥样硬化和动脉硬化等。其中n为1或2；m为0至4；q为0或1；t为0或1；R2为具有1至3个碳原子的烷基；R3为氢、卤素、具有1至3个碳原子的烷基或具有1至3个碳原子的烷氧基；A为苯基，未取代或被1或2个选自：卤素、具有1或2个碳原子的烷基、全氟甲基、具有1或2个碳原子的烷氧基和全氟甲氧基的基团取代；或具有3至6个环碳原子的环烷基，其中环烷基未取代或一个或两个环碳原子单独被甲基或乙基单取代；或具有1或2个选自N、S和O的环杂芳基，且所述杂芳环通过一个环碳原子与公式I的余部共价结合；且R1为氢或具有1或2个碳原子的烷基。或者，当R1为氢时，生物活性剂可以是公式I化合物的药学上可接受的盐。
• COMPOUNDS AND METHOD FOR REDUCING URIC ACID
  申请人：O'NEIL Rita M.

  公开号：US20130259850A1

  公开（公告）日：2013-10-03

  Uric acid in mammalian subjects is reduced and excretion of uric acid is increased by administering a compound of Formula I or a pharmaceutically acceptable salt thereof. In Formula I m is 0, 1, 2, 3 or 4; n is 0 or 1; m+n is not more than 4; t is 0 or 1; q is 0 or 1; and r is 0, 1 or 2. R 6 is hydrogen, methyl or ethyl and R 12 is hydrogen or methyl, or R 6 is hydroxy and R 12 is hydrogen, or R 6 is O and R 12 is absent, or R 6 and R 12 together are —CH 2 CH 2 —. R 7 is hydrogen or alkyl having from 1 to 3 carbon atoms. One of R 8 and R 9 is alkyl having from 1 to 3 carbon atoms, and the other is hydrogen or alkyl having from 1 to 3 carbon atoms. R 10 is hydrogen, halo, alkyl having from 1 to 3 carbon atoms or alkoxy having from 1 to 3 carbon atoms. X is C(O) and r is 0 and t is 0; or X is NH(R 11 ) wherein R 11 is hydrogen or alkyl having from 1 to 3 carbon atoms. A is phenyl, unsubstituted or substituted by 1 or 2 groups selected from halo, hydroxy, methyl, ethyl, perfluoromethyl, methoxy, ethoxy, and perfluoromethoxy; or a 5 or 6 membered heteroaromatic ring having 1 or 2 ring heteroatoms selected from N, S and O and the heteroaromatic ring is covalently bound to the remainder of the compound of Formula I by a ring carbon; or cycloalkyl having from 3 to 6 ring carbon atoms wherein the cycloalkyl is unsubstituted or one or two ring carbons are independently monosubstituted by methyl or ethyl. The uric acid-lowering effects of the Compounds of Formula I are used to treat or prevent a variety of conditions including gout, hyperuricemia, elevated levels of uric acid that do not meet the levels customarily justifying a diagnosis of hyperuricemia, renal dysfunction, kidney stones, cardiovascular disease, risk for developing cardiovascular disease, tumor-lysis syndrome, and cognitive impairment.

  在哺乳动物主体中，通过给予化合物I的一个衍生物或其药学上可接受的盐，可以降低尿酸并增加尿酸的排泄。在公式I中，m为0、1、2、3或4；n为0或1；m+n不超过4；t为0或1；q为0或1；r为0、1或2。R6为氢、甲基或乙基，R12为氢或甲基，或者R6为羟基且R12为氢，或者R6为O且R12不存在，或者R6和R12共同为—CH2CH2—。R7为氢或有1至3个碳原子的烷基。R8和R9中的一个为有1至3个碳原子的烷基，另一个为氢或有1至3个碳原子的烷基。R10为氢、卤素、有1至3个碳原子的烷基或有1至3个碳原子的烷氧基。X为C（O），r为0且t为0；或X为NH（R11），其中R11为氢或有1至3个碳原子的烷基。A为苯基，未取代或取代为1或2个从卤素、羟基、甲基、乙基、全氟甲基、甲氧基、乙氧基和全氟甲氧基中选择的基团；或为有1或2个从N、S和O中选择的环杂原子的5或6成员杂环芳基环，且该杂环芳基环通过一个环碳原子与公式I的其余部分共价结合；或为有3至6个环碳原子的环烷基，其中环烷基未取代或其中一或两个环碳原子独立地被甲基或乙基单取代。公式I的降低尿酸作用可用于治疗或预防多种疾病，包括痛风、高尿酸血症、尿酸水平升高但不符合惯常诊断高尿酸血症的水平、肾功能障碍、肾结石、心血管疾病、发生心血管疾病的风险、肿瘤溶解综合征和认知障碍。
• EP1617835A2
  申请人：——

  公开号：EP1617835A2

  公开（公告）日：2006-01-25
• EP2268141A1
  申请人：——

  公开号：EP2268141A1

  公开（公告）日：2011-01-05