4-(3-(2,6-dimethylbenzoyloxy)phenyl)-4-oxobutanoic acid | 1174130-57-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(3-(2,6-dimethylbenzoyloxy)phenyl)-4-oxobutanoic acid
• 英文别名: 4-[3-(2,6-dimethylbenzoyl)oxyphenyl]-4-oxobutanoic acid
• CAS: 1174130-57-4
• 化学式: C₁₉H₁₈O₅
• 分子量: 326.349
• InChiKey: OHVNAIXMPVDADC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(4-(benzyloxy)-4-oxobutanoyl)phenyl 2,6-dimethylbenzoate 在 钯 氩 、 氢气 、 silica gel 、 氯仿 、 甲醇 、 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 反应 14.0h， 生成 4-(3-(2,6-dimethylbenzoyloxy)phenyl)-4-oxobutanoic acid
  参考文献：
  名称：

  COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS

  摘要：

  本发明涉及一种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、多囊卵巢综合征、高脂血症、脂肪肝病、消瘦、肥胖症、动脉粥样硬化和动脉硬化等。该药物是一种化合物，其化学式为（I）式：其中，m为0、1、2、3、4、5、6、7或8；R1为氢或具有1至3个碳原子的烷基；R2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，未取代或取代为1或2个选自以下基团的基团：卤素、羟基、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；或者为具有3至6个环碳原子的环烷基，其中环烷基未取代或一或两个环碳原子独立地被甲基或乙基单取代；或者为具有1或2个选自N、S和O的环杂原子的5或6元杂环芳基，且该杂环芳基通过环碳原子与化合物（I）的其余部分共价结合。另外，该药物也可以是化合物（I）的药学上可接受的盐。

  公开号：

  US20100286267A1

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：WELLSTAT THERAPEUTICS CORP

  公开号：WO2009091732A1

  公开（公告）日：2009-07-23

  Agents useful for the treatment of various metabolic disorders, such as insulin resistance syndrome, diabetes, polycystic ovary syndrome, hyperlipidemia, fatty liver disease, cachexia, obesity, atherosclerosis and arteriosclerosis are disclosed. The agent is a compound of Formula (I): wherein m is 0, 1, 2, 3, 4, 5, 6, 7 or 8; R1 is hydrogen or alkyl having from 1 to 3 carbon atoms; and R2 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, hydroxy, 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; Alternatively, the agent can be a pharmaceutically acceptable salt of the compound of Formula (I).

  本发明涉及一种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、多囊卵巢综合征、高脂血症、脂肪肝病、消瘦、肥胖症、动脉粥样硬化和动脉硬化。该药物是公式（I）的化合物：其中m为0、1、2、3、4、5、6、7或8；R1为氢或具有1至3个碳原子的烷基；R2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个选自以下基团的基团取代：卤素、羟基、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个选自N、S和O的环杂原子的5或6元杂环芳基，且杂环芳基通过环碳原子与公式I的剩余部分共价结合。或者，该药物可以是公式（I）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。
• Compounds for the treatment of metabolic disorders
  申请人：Sharma Shalini

  公开号：US08481595B2

  公开（公告）日：2013-07-09

  Agents useful for the treatment of various metabolic disorders, such as insulin resistance syndrome, diabetes, polycystic ovary syndrome, hyperlipidemia, fatty liver disease, cachexia, obesity, atherosclerosis and arteriosclerosis are disclosed. The agent is a compound of Formula (I): wherein m is 0, 1, 2, 3, 4, 5, 6, 7 or 8; R1 is hydrogen or alkyl having from 1 to 3 carbon atoms; and R2 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, hydroxy, 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; Alternatively, the agent can be a pharmaceutically acceptable salt of the compound of Formula (I).

  本文披露了用于治疗各种代谢性疾病的药物，例如胰岛素抵抗综合症、糖尿病、多囊卵巢综合症、高脂血症、脂肪肝病、消瘦、肥胖症、动脉粥样硬化和动脉硬化等。该药物是一种化合物（I）：其中m为0、1、2、3、4、5、6、7或8；R1为氢或具有1至3个碳原子的烷基；R2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，未取代或取代为1或2个选自以下基团的基团：卤素、羟基、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至6个环碳原子的环烷基，其中该环烷基未取代或其中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个选自N、S和O的环杂原子的5或6成员杂环芳基，该杂环芳基通过一个环碳原子与化合物的公式I的其余部分共价结合；或者，该药物可以是化合物（I）的药学上可接受的盐。
• EP2268141A1
  申请人：——

  公开号：EP2268141A1

  公开（公告）日：2011-01-05
• COMPOUND AND METHOD FOR REDUCING URIC ACID
  申请人：Wellstat Therapeutics Corporation

  公开号：EP2268141B1

  公开（公告）日：2019-05-08