4-(3-(2,6-dimethylbenzyloxy)phenyl)-4-oxobutyric acid | 478162-78-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(3-(2,6-dimethylbenzyloxy)phenyl)-4-oxobutyric acid
• 英文别名: 4-[3-(2,6-dimethylbenzyloxy)-phenyl]-4-oxobutanoic acid；4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxobutanoic acid
• CAS: 478162-78-6
• 化学式: C₁₉H₂₀O₄
• 分子量: 312.365
• InChiKey: HFVDIZNJYLODRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(3-(2,6-dimethylbenzyloxy)phenyl)-4-oxobutyric acid 在 potassium hydroxide 、 肼 作用下， 以 乙二醇 为溶剂， 反应 4.0h， 生成 4-(3-(2,6-dimethylbenzyloxy)phenyl)butyric acid
  参考文献：
  名称：

  Compounds for the treatment of metabolic disorders

  摘要：

  揭示了用于治疗各种代谢性疾病的化合物，如胰岛素抵抗综合征、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。

  公开号：

  US09133073B2
• 作为产物：
  描述：

  乙酮,1-[4-[(2,6-二氟苯基)甲氧基]苯基]- 在 N,N-二甲基丙烯基脲 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 sodium hydroxide 、 abs ethanol 、 乙酸乙酯 为溶剂， 生成 4-(3-(2,6-dimethylbenzyloxy)phenyl)-4-oxobutyric acid
  参考文献：
  名称：

  Compounds for the treatment of metabolic disorders

  摘要：

  适用于治疗各种代谢性疾病的化合物，如胰岛素抵抗综合征、糖尿病、高脂血症、脂肪肝病、虚弱、肥胖、动脉粥样硬化和动脉硬化的化合物已被披露。

  公开号：

  US20030149107A1

文献信息

• SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS
  申请人：Luippold Gerd

  公开号：US20140228286A1

  公开（公告）日：2014-08-14

  A method of treating diabetes mellitus or a microvascular or macrovascular complication of diabetes mellitus in a patient in need thereof, the method comprising administering to the patient a compound of formula 1 wherein R 1 , R 2 , R 3 , and R 4 are as defined in claim 1.

  一种治疗糖尿病或糖尿病微血管或宏血管并发症的方法，包括向需要治疗的患者注射公式1中的化合物，其中R1、R2、R3和R4如权利要求1所定义。
• [EN] SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS<br/>[FR] INHIBITEURS SPÉCIFIQUES DE PDE4B POUR LE TRAITEMENT DU DIABÈTE SUCRÉ
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014124860A1

  公开（公告）日：2014-08-21

  The invention relates to compounds of formula 1 for their use for the treatment of diabetes mellitus or for the treatment of a microvascular or macrovascular complication of diabetes mellitus wherein R1, R2, R3 and R4 are defined as summarized in claim 1. Further the invention relates to the use of compounds of the above formula 1 for the manufacture of a medicament for the treatment of diabetes mellitus or for the treatment of a microvascular or macrovascular complication of diabetes mellitus.

  本发明涉及式1的化合物，其用于治疗糖尿病或治疗糖尿病的微血管或宏血管并发症，其中R1、R2、R3和R4的定义如权利要求书1所述。此外，本发明涉及上述式1的化合物的用途，用于制造治疗糖尿病或治疗糖尿病的微血管或宏血管并发症的药物。
• [EN] COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] COMPOSES POUR LE TRAITEMENT DE TROUBLES METABOLIQUES
  申请人：WELLSTAT THERAPEUTICS CORP

  公开号：WO2005018628A1

  公开（公告）日：2005-03-03

  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. Formula (I), wherein n is 1 or 2; m is 0 or 1; q is 0 or 1; t is 0 or 1; R5 is alkyl having from 1 to 3 carbon atoms; R9 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 mono­substituted by methyl or ethyl; or a 5 or 6 membered heteroaromatic ring having 1 or 2 ring heteroatoms selected from N, S and 0 and the heteroaromatic ring is covalently bound to the remainder of the compound of formula I by a ring carbon; and X is -CH2-, Q is -OR1and R1 is methyl or ethyl; or X is -CH2CR12R13- or - CH2CH(NHAc)-wherein each of R12 and R13 is independently hydrogen or methyl, Q is OR1 and R1 is hydrogen or alkyl having from 1 to 7 carbon atoms; or X is -CH2CH2- and Q is NR10R1' wherein one of R10 and R11 is hydrogen, alkyl having from 1 to 3 carbon atoms or hydroxy, and the other is hydrogen. 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等。公式（I）中，n为1或2；m为0或1；q为0或1；t为0或1；R5是具有1至3个碳原子的烷基；R9是氢、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是苯基，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；或环状烷基，其具有3至6个环碳原子，其中环状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个氮、硫和氧等选自的杂环芳基环，且杂环芳基环通过环碳原子与公式I的其余部分共价结合；X为-CH2-，Q为-OR1，R1为甲基或乙基；或X为-CH2CR12R13-或-CH2CH（NHAc）-，其中R12和R13各自独立地为氢或甲基，Q为OR1，R1为氢或具有1至7个碳原子的烷基；或X为-CH2CH2-，Q为NR10R1'，其中R10和R11中的一个为氢、具有1至3个碳原子的烷基或羟基，另一个为氢。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。
• [EN] SYNTHESIS OF 4-[3-(2,6-DIMETHYLBENZYLOXY)PHENYL]-4-OXOBUTANOIC ACID<br/>[FR] SYNTHÈSE DE L'ACIDE 4-[3-(2,6-DIMÉTHYLBENZYLOXY)PHÉNYL]-4-OXOBUTANOÏQUE
  申请人：WELLSTAT THERAPEUTICS CORP

  公开号：WO2009137381A1

  公开（公告）日：2009-11-12

  The compound 4-[3-(2,6-Dimethylbenzyloxy)phenyl]-4-oxobutanoic acid (DPA) is synthesized from 1-[3-(2,6-Dimethylbenzyloxy)-phenγl]-ethanone (DPE) via the intermediate 4-[3-(2,6-Dimethylbenzyloxy)phenyl]-4-oxobulanoic acid ethyl ester (DPAE).

  化合物4-[3-(2,6-二甲基苯氧基)苯基]-4-氧代丁酸（DPA）是从1-[3-(2,6-二甲基苯氧基)苯基]-乙酮（DPE）通过中间体4-[3-(2,6-二甲基苯氧基)苯基]-4-氧代丁酸乙酯（DPAE）合成的。
• Compound for the treatment of metabolic disorders
  申请人：Sharma Shalini

  公开号：US20050090555A1

  公开（公告）日：2005-04-28

  Compounds 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.

  本发明涉及一种用于治疗各种代谢障碍的化合物，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、动脉粥样硬化和动脉硬化等。