3-(2-hydroxyethyl)-2H-1,3-benzoxazin-4(3H)-one | 143248-47-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(2-hydroxyethyl)-2H-1,3-benzoxazin-4(3H)-one
• 英文别名: 2,3-dihydro-3-(2'-hydroxyethyl)-4H-1,3-benzoxazin-4-one；4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(2-hydroxyethyl)-；3-(2-hydroxyethyl)-2H-1,3-benzoxazin-4-one
• CAS: 143248-47-9
• 化学式: C₁₀H₁₁NO₃
• 分子量: 193.202
• InChiKey: OCGPULOAWIAZQS-UHFFFAOYSA-N

物化性质

• 沸点：
  402.3±45.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-hydroxyethyl)-2H-1,3-benzoxazin-4(3H)-one 在 氯化亚砜 、 silver nitrate 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 5.0h， 生成 西硝地尔
  参考文献：
  名称：

  具有降低的降压活性的新型抗心绞痛硝基酯。3-[（（硝基氧基）烷基）-2H-1,3-苯并恶嗪-4（3H）-ones的合成和药理评价。

  摘要：

  新的硝基酯3-[（（硝基氧基）烷基] -2H-1,3-苯并恶嗪-4（3H）-酮显示出对局部缺血引起的心电图变化的显着抑制活性，仅具有有限的全身血流动力学作用，目前已有报道研究。这些新的硝基血管舒张剂是在麻醉的大鼠中通过静脉或冠状动脉内注射Arg血管加压素或乙酰甲胆碱诱导的心电图T波和ST段抬高的有效抑制剂。活性最高的化合物的效力分别比三硝酸甘油酯或尼古拉地尔高300到600倍。这些硝酸酯以浓度依赖性的方式使分离出的兔主动脉松弛，其浓度比三硝酸甘油酯高（2-40倍），并以比三硝酸甘油酯发挥类似降压作用所需的剂量高7-300倍的剂量降低平均动脉血压。值得注意的是，这些化合物在口服（po）给药后仍保持其抗缺血和血流动力学特征。这些新的硝基酯衍生物具有显着的抗心绞痛活性，与全身性血压的同时并发明显下降无关，它们代表了对大冠状血管具有优先作用的新型选择性硝化血管舒张剂的产生。与冠状动脉疾病的治疗有关。

  DOI：

  10.1021/jm00001a018
• 作为产物：
  描述：

  水杨酸甲酯 在 盐酸 、 sodium carbonate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 36.0h， 生成 3-(2-hydroxyethyl)-2H-1,3-benzoxazin-4(3H)-one
  参考文献：
  名称：

  具有降低的降压活性的新型抗心绞痛硝基酯。3-[（（硝基氧基）烷基）-2H-1,3-苯并恶嗪-4（3H）-ones的合成和药理评价。

  摘要：

  新的硝基酯3-[（（硝基氧基）烷基] -2H-1,3-苯并恶嗪-4（3H）-酮显示出对局部缺血引起的心电图变化的显着抑制活性，仅具有有限的全身血流动力学作用，目前已有报道研究。这些新的硝基血管舒张剂是在麻醉的大鼠中通过静脉或冠状动脉内注射Arg血管加压素或乙酰甲胆碱诱导的心电图T波和ST段抬高的有效抑制剂。活性最高的化合物的效力分别比三硝酸甘油酯或尼古拉地尔高300到600倍。这些硝酸酯以浓度依赖性的方式使分离出的兔主动脉松弛，其浓度比三硝酸甘油酯高（2-40倍），并以比三硝酸甘油酯发挥类似降压作用所需的剂量高7-300倍的剂量降低平均动脉血压。值得注意的是，这些化合物在口服（po）给药后仍保持其抗缺血和血流动力学特征。这些新的硝基酯衍生物具有显着的抗心绞痛活性，与全身性血压的同时并发明显下降无关，它们代表了对大冠状血管具有优先作用的新型选择性硝化血管舒张剂的产生。与冠状动脉疾病的治疗有关。

  DOI：

  10.1021/jm00001a018

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。
• Heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them
  申请人：Dr. Reddy's Laboratories Limited

  公开号：US06664411B2

  公开（公告）日：2003-12-16

  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 (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. 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.

  本发明涉及一种新型的抗肥胖和降胆固醇的化合物，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和含有它们的药学上可接受的组合物。更具体地，本发明涉及一种新型的β-芳基-α-氧基取代烷基羧酸的一般式（I），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和含有它们的药学上可接受的组合物。本发明还涉及一种制备上述新化合物、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。