2-methoxyethyl 2-(3-nitrobenzylidene)-acetoacetate | 85677-91-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-methoxyethyl 2-(3-nitrobenzylidene)-acetoacetate
• 英文别名: 2-methoxyethyl 2-(m-nitrobenzylidene)acetoacetate；2-Methoxyethyl 2-(3-nitrobenzylidene)-3-oxobutanoate；2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
• CAS: 85677-91-4
• 化学式: C₁₄H₁₅NO₆
• 分子量: 293.276
• InChiKey: UVZJPCAZMGLNTB-UKTHLTGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  propan-2-yl (E)-3-amino(314C)but-2-enoate 、 2-methoxyethyl 2-(3-nitrobenzylidene)-acetoacetate 生成 propan-2-yl 3-oxo(314C)butanoate
  参考文献：
  名称：

  SCHERLING, D., J. LABELL. COMPOUNDS AND RADIOPHARM., 27,(1989) N, C. 599-603

  摘要：

  DOI：
• 作为产物：
  描述：

  间硝基苯甲醛 、 乙酰乙酸甲氧乙酯 生成 2-methoxyethyl 2-(3-nitrobenzylidene)-acetoacetate
  参考文献：
  名称：

  SCHERLING, D., J. LABELL. COMPOUNDS AND RADIOPHARM., 27,(1989) N, C. 599-603

  摘要：

  DOI：

文献信息

• 1,4-Dihydropyridine derivatives
  申请人：FUJIREBIO INC.

  公开号：EP0320984A3

  公开（公告）日：1989-12-27

  1,4-Dihydropyridine derivatives of the formula (I) having vasodilative activity and inhibitory activity on platelet aggregation: wherein Ar¹ represents an aromatic hydrocarbon group or heterocyclic group which may have at least one substituent; R¹ represents a hydrocarbon group which may have at least one substituent; A and B each represent a hydrocarbon group which may have at least one substituent, in which any of the carbon atoms in the main chain thereof may be replaced by a nitrogen atom or an oxygen atom; Ar² represents an aromatic hydrocarbon group or heterocyclic group; Ar³ represents a heterocyclic group which may have at least one substituent; and n is 0 or 1.

  具有扩血管活性和抑制血小板聚集活性的式(I)的1,4-二氢吡啶衍生物： 其中Ar¹代表一个芳香烃基或杂环基，可能具有至少一个取代基；R¹代表一个可能具有至少一个取代基的碳氢基团；A和B分别代表一个可能具有至少一个取代基的碳氢基团，在其中主链的任何碳原子可以被氮原子或氧原子取代；Ar²代表一个芳香烃基或杂环基；Ar³代表一个可能具有至少一个取代基的杂环基；n为0或1。
• Studies on dihydropyridines. III. Synthesis of 4,7-dihydrothieno(2,3-b)pyridines with vasodilator and antihypertensive activities.
  作者：IKUO ADACHI、TERUO YAMAMORI、YOSHIHARU HIRAMATSU、KATSUNORI SAKAI、SHIN-ICHI MIHARA、MASARU KAWAKAMI、MASAO MASUI、OSAMU UNO、MOTOHIKO UEDA

  DOI：10.1248/cpb.36.4389

  日期：——

  A series of 4-aryl-4, 7-dihydrothieno [2, 3-b] pyridine-5-carboxylate derivatives (I) was synthesized and tested for binding affinity to Ca2+ channels in rat cerebral cortex membranes, coronary vasodilator effect in isolated guinea pig hearts, and antihypertensive activity in spontaneously hypertensive rats.Several compounds had potent coronary vasodilator and antihypertensive activities.The structure-ctivity relationships of the series indicated that a lipophilic 3-alkyl substituent with moderate bulkiness was effective for enhancing the pharmacological potencies.Among them, methyl 4, 7-dihydro-3-isobuty1-6-methy1-4-(3-nitrophenyl) thieno [2, 3-b] pyridine-5-carboxylate (S-312) was selected as a promising cardiovascular agent.The relationship between the absolute configuration of S-312 and its biological activities is also presented.

  合成了一系列4-芳基-4, 7-二氢噻吩[2, 3-b]吡啶-5-羧酸酯衍生物(I)，并测试了它们对大鼠大脑皮层膜中Ca2+通道的结合亲和力、在离体豚鼠心脏中的冠状动脉扩张作用以及在自发性高血压大鼠中的抗高血压活性。若干化合物具有强大的冠状动脉扩张和抗高血压活性。该系列的结构-活性关系表明，具有适中体积的脂溶性3-烷基取代基对增强药理效能是有效的。其中，甲基4, 7-二氢-3-异丁基-6-甲基-4-(3-硝基苯基)噻吩[2, 3-b]吡啶-5-羧酸酯(S-312)被选为一个有前景的心血管药物。还介绍了S-312的绝对构型与其生物活性之间的关系。
• 1,4-dihydropyridine derivatives
  申请人：Fujirebio Kabushiki Kaisha

  公开号：US05286869A1

  公开（公告）日：1994-02-15

  1,4-Dihydropyridine derivatives of formula: ##STR1## wherein Ar.sup.1 represents an aromatic hydrocarbon group or an aromatic heteromonocyclic or heterobicyclic group containing therein 1 to 3 atoms selected from the group consisting of oxygen, sulfur and nitrogen; R.sup.1 represents a hydrocarbon group which may have one or more substituents; A represents (i) a straight chain or branched chain unsaturated hydrocarbon group, (ii) a cyclic unsaturated hydrocarbon group, or (iii) a group selected from the group consisting of --R--O--N.dbd.CH--, --R--N.dbd.N--, --R--CH.dbd.N-- and --R--N.dbd.CH--, in which R is an alkylene group having 1 to 6 carbon atoms; B represents an alkylene or alkenylene group having 1 to 3 carbon atoms, which may have a substituent; Ar.sup.2 represents an aromatic hydrocarbon group or a heterocyclic group; Ar.sup.3 represents a heterocyclic group which may have one or more substituents; and n is 0 or 1, and the corresponding optical active 1,4-dihydropyridine derivatives, having an optically active cite as indicated by *, have both superior vasodilative and platelet aggregation inhibiting activities.

  公式： ##STR1## 其中Ar.sup.1代表一个芳香族烃基或含有1至3个来自氧、硫和氮的原子的芳香族杂单环或杂双环基团；R.sup.1代表一个可以具有一个或多个取代基的碳氢基团；A代表（i）一个直链或支链不饱和碳氢基团，（ii）一个环状不饱和碳氢基团，或（iii）从--R--O--N.dbd.CH--，--R--N.dbd.N--，--R--CH.dbd.N--和--R--N.dbd.CH--等组中选择的一种基团，其中R是具有1至6个碳原子的烷基基团；B代表具有1至3个碳原子的烷基或烯烃基团，可以具有取代基；Ar.sup.2代表一个芳香族烃基或杂环基团；Ar.sup.3代表一个可以具有一个或多个取代基的杂环基团；n为0或1，相应的光学活性1,4-二氢吡啶衍生物，具有如*所示的光学活性位点，具有优越的血管扩张和血小板聚集抑制活性。
• Sila-substituted 1,4-dihydropyridine derivatives and their medicinal use
  申请人：Bayer Aktiengesellschaft

  公开号：US04237137A1

  公开（公告）日：1980-12-02

  The invention provides sila-substituted 1,4-dihydropyridine derivatives useful as medicament which influence the circulation. Also included in the invention are methods for the procurement of said derivatives, compositions containing said derivatives and methods for the use of said derivatives.

  本发明提供了硅取代的1,4-二氢吡啶衍生物，可用作影响循环的药物。本发明还包括获得所述衍生物的方法，含有所述衍生物的组合物以及使用所述衍生物的方法。
• 1,4-Dihydropyiridine derivative, a process for preparing the same, a pharmaceutical composition as well as the use thereof
  申请人：——

  公开号：EP0197488A3

  公开（公告）日：1987-06-16

  A novel 1,4-dihydropyridine derivative is disclosed having the formula: This derivative and pharmacologically acceptable salts thereof are effective for the treatment and prevention of cardiopathy and antihypertensive and coronary vasodilating action.There is also described a process for the preparation of the claimed 1,4-dihydropyridine derivative, a pharmacological composition containing the same and the use thereof.

  揭示了一种具有以下式的新型1,4-二氢吡啶衍生物： 此衍生物及其药学上可接受的盐对于治疗和预防心脏病、降压和冠状动脉扩张作用具有有效性。还描述了一种制备所述1,4-二氢吡啶衍生物的方法、含有该衍生物的药物组合物以及其用途。