苯(甲)醛,4-[2-(4-羰基-2H-1,3-苯并噁嗪-3(4H)-基)乙氧基]- | 194713-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 苯(甲)醛,4-[2-(4-羰基-2H-1,3-苯并噁嗪-3(4H)-基)乙氧基]-
• 英文名称: 4-[2-(4-oxo-3,4-dihydro-2H-benzo[1,3]oxazin-3-yl)ethoxy]benzaldehyde
• 英文别名: 4-[2-(4-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)-ethoxy]benzaldehyde；4-[2-[4-oxo-3,4-dihydro-1,3-benzoxazin-3-yl]ethoxy]benzaldehyde；4-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]benzaldehyde
• CAS: 194713-60-5
• 化学式: C₁₇H₁₅NO₄
• 分子量: 297.31
• InChiKey: SBRGVWSNBBHMOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯(甲)醛,4-[2-(4-羰基-2H-1,3-苯并噁嗪-3(4H)-基)乙氧基]- 在 palladium on activated charcoal 哌啶 、 氢气 、 苯甲酸 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 20.0 ℃ 、413.68 kPa 条件下， 反应 50.0h， 生成 5-{4-[2-(4-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)ethoxy]benzyl}-2,4-thiazolidinedione
  参考文献：
  名称：

  Dual PPAR-α and -γ activators derived from novel benzoxazinone containing thiazolidinediones having antidiabetic and hypolipidemic potential

  摘要：

  2,4-Thiazolidinedione derivatives of 1,3-benzoxazinone were synthesized and evaluated for their PPAR-alpha and gamma dual activation. DRF-2519, a compound obtained through SAR of TZD derivatives of benzoxazinone, has shown potent dual PPAR activation. In ob/ob mice, it showed better efficacy than the comparator molecules. In fat fed rat model, it showed significant improvement in lipid parameters, which was better than fibrates. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.043
• 作为产物：
  描述：

  对氟苯甲醛 、 3-(2-hydroxyethyl)-2H-1,3-benzoxazin-4(3H)-one 以 二甲基亚砜 、 苯 为溶剂， 以62%的产率得到苯(甲)醛,4-[2-(4-羰基-2H-1,3-苯并噁嗪-3(4H)-基)乙氧基]-
  参考文献：
  名称：

  Benzoazine derivative or salt thereof and pharmaceutical compostion

  摘要：

  一种苯并噻唑衍生物，其化学式如下（1）：##STR1## 其中，R.sup.1代表烷基、烷氧基、卤素原子、卤代烷基、氨基、羟基、苄氧基（可能具有取代基）、氰基、氨基甲酰基、酰基、硝基、羧基或磺酰胺基；R.sup.2和R.sup.3可以相同也可以不同，分别表示氢原子或烷基，或R.sup.2和R.sup.3组合表示具有2-7个碳原子的烷基；R.sup.4和R.sup.5可以相同也可以不同，分别表示氢原子或烷基；X表示O、S或N--R.sup.6（其中R.sup.6表示氢原子、烷基或苯基或吡啶基，可能具有取代基）；m是0至4的整数；n是1至3的整数，或该苯并噻唑衍生物的盐。该化合物对降低血糖值、血浆胰岛素值和血浆甘油三酯值具有优越的效果，可用作预防或治疗糖尿病、高脂血症和肥胖症的药物。

  公开号：

  US05710152A1

文献信息

• Benzothiazin and benzoxazin derivatives; their preparation and uses
  申请人：Dr. Reddy's Research Foundation

  公开号：US06130214A1

  公开（公告）日：2000-10-10

  The present invention relates to novel antiobesity and hypocholesterolemic compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. More particularly, the present invention relates to novel .beta.-aryl-.alpha.-oxysubstituted alkylcarboxylic acids of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. ##STR1##

  本发明涉及新型抗肥胖和降胆固醇化合物，它们的衍生物，类似物，互变异构体，立体异构体，多晶形态，药学上可接受的盐，药学上可接受的溶剂合物以及含有它们的药学上可接受的组合物。更具体地说，本发明涉及一般式（I）的新型β-芳基-α-氧基取代烷基羧酸，其衍生物，类似物，互变异构体，立体异构体，多晶形态，药学上可接受的盐，药学上可接受的溶剂合物以及含有它们的药学上可接受的组合物。
• Benzoazine derivative or salt thereof and pharmaceutical compostion
  申请人：SS Pharmaceutical Co., Ltd.

  公开号：US05710152A1

  公开（公告）日：1998-01-20

  A benzoazine derivative represented by the following formula (1), ##STR1## wherein R.sup.1 represents an alkyl group, alkoxy group, halogen atom, halogenoalkyl group, amino group, hydroxy group, benzyloxy group which may have a substituent, cyano group, carbamoyl group, acyl group, nitro group, carboxy group, or sulfonamide group; R.sup.2 and R.sup.3 may be the same or different and each individually represents a hydrogen atom or an alkyl group, or R.sup.2 and R.sup.3 indicate in combination an alkylene group having 2-7 carbon atoms; R.sup.4 and R.sup.5 may be the same or different and each individually represents a hydrogen atom or an alkyl group; X denotes O, S, or N--R.sup.6 (wherein R.sup.6 represents a hydrogen atom, an alkyl group, or an aryl group or pyridyl group which may have a substituent); m is an integer from 0 to 4; and n is an integer from 1 to 3, or a salt of the benzoazine derivative. The compound exhibits superior effects for reducing blood glucose value, plasma insulin value, and plasma triglyceride value, and is useful as a medicament for preventing or treating diabetes, hyperlipidemia, and obesity.

  一种苯并噻唑衍生物，其化学式如下（1）：##STR1## 其中，R.sup.1代表烷基、烷氧基、卤素原子、卤代烷基、氨基、羟基、苄氧基（可能具有取代基）、氰基、氨基甲酰基、酰基、硝基、羧基或磺酰胺基；R.sup.2和R.sup.3可以相同也可以不同，分别表示氢原子或烷基，或R.sup.2和R.sup.3组合表示具有2-7个碳原子的烷基；R.sup.4和R.sup.5可以相同也可以不同，分别表示氢原子或烷基；X表示O、S或N--R.sup.6（其中R.sup.6表示氢原子、烷基或苯基或吡啶基，可能具有取代基）；m是0至4的整数；n是1至3的整数，或该苯并噻唑衍生物的盐。该化合物对降低血糖值、血浆胰岛素值和血浆甘油三酯值具有优越的效果，可用作预防或治疗糖尿病、高脂血症和肥胖症的药物。
• [EN] NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVELLES COMPOSITIONS HETEROCYCLIQUES ET LEUR UTILISATION EN MEDECINE; PROCEDES DE LEUR FABRICATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：DR. REDDY'S RESEARCH FOUNDATION

  公开号：WO1999016758A1

  公开（公告）日：1999-04-08

  (EN) The present invention relates to novel antiobesity and hypocholesterolemic compounds, their derivatives, their analogs, their tautomeric forms, their stereisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. More particularly, the present invention relates to novel $g(b)-aryl-$g(a)-oxysubstituted alkylcarboxylic acids of general formula (I), their derivatives, their analogs, their tautomeric forms, their stereosomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them.(FR) La présente invention concerne de nouveaux composés anti-obésité et hypocholestérolémiques, leurs dérivés, analogues, formes tautomères, stéréoisomères, polymorphes, sels pharmaceutiquement acceptables, solvates pharmaceutiquement acceptables et des compositions pharmaceutiquement acceptables les contenant. Plus particulièrement, cette invention se rapporte à de nouveaux acides alkylcarboxyliques $g(b)-aryl-$g(a)-oxysubstitués qui correspondent à la formule générale (I), ainsi qu'à leurs dérivés, analogues, formes tautomères, stéréoisomères, polymorphes, sels pharmaceutiquement acceptables, solvates pharmaceutiquement acceptables et à des compositions pharmaceutiquement acceptables les contenant.

  本发明涉及新型抗肥胖和降低胆固醇化合物，其衍生物，类似物，互变异构体，立体异构体，多晶形态，药学上可接受的盐，药学上可接受的溶剂化物和包含它们的药学上可接受的组合物。更具体地说，本发明涉及一般式（I）的新型$g(b)-芳基-$g(a)-氧基取代的烷基羧酸，其衍生物，类似物，互变异构体，立体异构体，多晶形态，药学上可接受的盐，药学上可接受的溶剂化物和包含它们的药学上可接受的组合物。
• Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them
  申请人：DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC.

  公开号：US20010027198A1

  公开（公告）日：2001-10-04

  The present invention relates to novel antiobesity and hypocholesterolemic compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. More particularly, the present invention relates to novel &bgr;-aryl-&agr;-oxysubstituted alkylcarboxylic acids of the general formula (1), their derivatives, their analogs, their tautomeric forms, their stereosomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. 1 The present invention also relates to a process for the preparation of the above said novel compounds, their analogs, their derivatives, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates, novel intermediates and pharmaceutical compositions containing them.

  本发明涉及新型抗肥胖和降胆固醇化合物、它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂及含有它们的药学上可接受的组合物。更具体地，本发明涉及一般式（1）的新型β-芳基-α-氧基取代烷基羧酸、它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂及含有它们的药学上可接受的组合物。本发明还涉及制备上述新型化合物、类似物、衍生物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂、新型中间体和含有它们的制药组合物的方法。
• Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same
  申请人：SS Pharmaceutical Co., Ltd.

  公开号：EP0787727A1

  公开（公告）日：1997-08-06

  A benzoazine derivative represented by the following formula (1),    wherein R1 represents an alkyl group, alkoxy group, halogen atom, halogenoalkyl group, amino group, hydroxy group, benzyloxy group which may have a substituent, cyano group, carbamoyl group, acyl group, nitro group, carboxy group, or sulfonamide group; R2 and R3 may be the same or different and each individually represents a hydrogen atom or an alkyl group, or R2 and R3 indicate in combination an alkylene group having 2-7 carbon atoms; R4 and R5 may be the same or different and each individually represents a hydrogen atom or an alkyl group; X denotes O, S, or N-R6 (wherein R6 represents a hydrogen atom, an alkyl group, or an aryl group or pyridyl group which may have a substituent); m is an integer from 0 to 4; and n is an integer from l to 3, or a salt of the benzoazine derivative. The compound exhibits superior effects for reducing blood glucose value, plasma insulin value, and plasma triglyceride value, and is useful as a medicament for preventing or treating diabetes, hyperlipidemia, and obesity.

  由下式(1)代表的苯并嗪衍生物、 其中 R1 代表烷基、烷氧基、卤素原子、卤代烷基、氨基、羟基、可能具有取代基的苄氧基、氰基、氨基甲酰基、酰基、硝基、羧基或磺酰胺基；R2 和 R3 可以相同或不同，各自单独代表氢原子或烷基，或 R2 和 R3 组合表示具有 2-7 个碳原子的亚烷基；R4和R5可以相同或不同，各自代表氢原子或烷基；X表示O、S或N-R6（其中R6代表氢原子、烷基或芳基或吡啶基，可具有取代基）；m是0至4的整数；n是l至3的整数，或苯并嗪衍生物的盐。该化合物在降低血糖值、血浆胰岛素值和血浆甘油三酯值方面表现出卓越的效果，可用作预防或治疗糖尿病、高脂血症和肥胖症的药物。