4-(1H-imidazol-1-yl)-β-oxobenzenepropanoic acid methyl ester | 84243-56-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1H-imidazol-1-yl)-β-oxobenzenepropanoic acid methyl ester
• 英文别名: methyl 4-(1H-imidazol-lyl)-β-oxobenzenepropanoate；methyl 4-(1H-imidazol-1-yl)-β-oxobenzenepropanoate；methyl 4'-(1-imidazolyl)benzoylacetate；methyl 4-(1H-imidazol-1-yl)-beta-oxobenzenepropanoate；methyl 3-(4-imidazol-1-ylphenyl)-3-oxopropanoate
• CAS: 84243-56-1
• 化学式: C₁₃H₁₂N₂O₃
• 分子量: 244.25
• InChiKey: ZEPWPNIUJICBOF-UHFFFAOYSA-N

物化性质

• 沸点：
  407.2±25.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(1H-imidazol-1-yl)-β-oxobenzenepropanoic acid methyl ester 生成 methyl 2-(4-imidazol-1-ylbenzoyl)-2-methylbutanoate;hydrochloride
  参考文献：
  名称：

  MORRISON, G. C.

  摘要：

  DOI：
• 作为产物：
  描述：

  4-咪唑乙酰苯酮 生成 4-(1H-imidazol-1-yl)-β-oxobenzenepropanoic acid methyl ester
  参考文献：
  名称：

  SIRCAR, I.;BRISTOL, J. A.

  摘要：

  DOI：

文献信息

• Cardiotonic agents. 2. Synthesis and structure-activity relationships of 4,5-dihydro-6-[4-(H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones: a new class of positive inotropic agents
  作者：Ila Sircar、Bradley L. Duell、George Bobowski、James A. Bristol、Dale B. Evans

  DOI：10.1021/jm00148a006

  日期：1985.10

  substituent at the 5-position of 1 (CI-914) produced the most potent compound in this series (11, CI-930). Compound 1 is more potent than amrinone whereas compound 11 is more potent than milrinone. The inotropic effects of 1 and 11 are not mediated via stimulation of beta-adrenergic receptors. Selective inhibition of cardiac phosphodiesterase fraction III represents the principal component of the positive

  合成了一系列的4,5-二氢-6- [4-（1H-咪唑-1-基）苯基] -3（2H）-哒嗪酮和相关化合物，并评价其正性肌力活性。该系列的大多数成员产生剂量相关的心肌收缩力增加，这与心率相对较小的升高和全身动脉血压的降低有关。在1的5位上引入甲基取代基（CI-914）产生了该系列中最有效的化合物（11，CI-930）。化合物1比氨力农更有效，而化合物11比米力农更有效。1和11的正性肌力作用不是通过刺激β-肾上腺素受体介导的。心脏磷酸二酯酶组分III的选择性抑制代表1和11的正性肌力作用的主要成分。
• 1,4-DIHYDROPYRIDINE DERIVATIVES
  申请人：Nikken Chemicals Company, Limited

  公开号：EP0943615A1

  公开（公告）日：1999-09-22

  A 1,4-dihydropyridine derivative having the formula (I): wherein, R1 represents a substituted or unsubstituted phenyl or heterocyclic group, R2 represents a C1 to C5 lower alkyl group, R3 represents a substituted or unsubstituted C2 to C8 alkyl, alkenyl, alkynyl or substituted or unsubstituted cycloalkyl group, R4 represents -A-R5, wherein A represents a C2 to C8 alkylene group or a substituted or unsubstituted C2 to C8 alkenylene group, and R5 represents a substituted or unsubstituted pyridyl, pyridylcarbonyl or piperadinyl group and a drug for overcoming resistance to an anti-cancer drug or a drug increasing the effect of an anti-cancer drug containing as an effective ingredient the derivative or its pharmacologically acceptable salt or hydrate.

  一种具有以下式（I）的1,4-二氢吡啶衍生物： 其中，R1代表取代或未取代的苯基或杂环基团，R2代表C1至C5的低碳链基团，R3代表取代或未取代的C2至C8的烷基、烯基、炔基或取代或未取代的环烷基团，R4代表-A-R5，其中A代表C2至C8的烷基链或取代或未取代的C2至C8的烯基链，R5代表取代或未取代的吡啶基、吡啶基甲酰基或哌啶基团，以及一种用作克服抗癌药物的抗药性或增加抗癌药物效果的药物，其有效成分为该衍生物或其药理学上可接受的盐或水合物。
• Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and
  申请人：Warner-Lambert Company

  公开号：US04734415A1

  公开（公告）日：1988-03-29

  Substituted 4,5-dihydro-6-(substituted)phenyl-3(2H)-pyridazinone compounds and 6-(substituted)phenyl-3(2H)-pyridazinone compounds and pharmaceutically acceptable salts thereof are useful as cardiotonic and antihypertensive agents. Said compounds cause a significant increase in myocardial contractility in the dog. Said compounds also cause a decrease in blood pressure in the spontaneously hypertensive rat. Said compounds are produced by reacting substituted .gamma.-oxobenzenebutanoic acids with suitably substituted hydrazines to provide 4,5-dihydro-6-(substituted)phenyl-3(2H)-pyridazinones which are dehydrogenated to 6-(substituted)phenyl-3(2H)-pyridazinones. Both the intermediate 4,5-dihydro-6-(substituted)phenyl-3(2H)-pyridazinones and the 6-(substituted)phenyl-3(2H)-pyridazinones are useful as cardiotonic and antihypertensive agents.

  4,5-二氢-6-(取代基)苯基-3(2H)-吡啶并酮化合物和6-(取代基)苯基-3(2H)-吡啶并酮化合物及其药用盐可作为强心和降压药物。这些化合物在狗体内可显著增加心肌收缩力。这些化合物还可导致自发性高血压大鼠的血压降低。这些化合物是通过将取代的γ-氧基苯丁酸与适当取代的肼反应制备的，从而提供4,5-二氢-6-(取代基)苯基-3(2H)-吡啶并酮，然后将其脱氢为6-(取代基)苯基-3(2H)-吡啶并酮。中间体4,5-二氢-6-(取代基)苯基-3(2H)-吡啶并酮和6-(取代基)苯基-3(2H)-吡啶并酮均可作为强心和降压药物。
• Substituted
  申请人：Warner-Lambert Company

  公开号：US04353905A1

  公开（公告）日：1982-10-12

  Substituted 4,5-dihydro-6-[4-(1H-imidazol-1-yl)-phenyl]-3(2H)-pyridazinone compounds and 6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinone compounds and pharmaceutically acceptable salts thereof are useful as cardiotonic agents. Said compounds cause a significant increase in myocardial contractility in the anesthetized dog. Said compounds are produced by reacting substituted .gamma.-oxo-benzenebutanoic acids with suitably substituted hydrazines to provide 4,5-dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones which are dehydrogenated to 6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones. Both the intermediate 4,5-dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones and the 6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones are useful as cardiotonic agents.

  4,5-二氢-6-[4-(1H-咪唑-1-基)-苯基]-3(2H)-吡啶啉化合物和6-[4-(1H-咪唑-1-基)苯基]-3(2H)-吡啶啉化合物及其药用盐可用作心力衰竭药物。这些化合物可在麻醉狗体内显著增加心肌收缩力。这些化合物是通过将取代的γ-氧代苯丁酸与适当取代的肼反应而制备的，从而得到4,5-二氢-6-[4-(1H-咪唑-1-基)苯基]-3(2H)-吡啶啉，然后将其脱氢为6-[4-(1H-咪唑-1-基)苯基]-3(2H)-吡啶啉。中间体4,5-二氢-6-[4-(1H-咪唑-1-基)苯基]-3(2H)-吡啶啉和6-[4-(1H-咪唑-1-基)苯基]-3(2H)-吡啶啉均可用作心力衰竭药物。
• Cardiotonic and antihypertensive
  申请人：Warner-Lambert Company

  公开号：US04661496A1

  公开（公告）日：1987-04-28

  2,4-Dihydro-5-[(substituted)phenyl]-4,4-disubstituted-3H-pyrazol-3-one compounds as cardiotonic and antihypertensive agents, pharmaceutical compositions and methods of treating diseases with such agents as well as a process for the preparation of said compounds are described.

  本文介绍了2,4-二氢-5-[(取代)苯基]-4,4-二取代-3H-吡唑-3-酮类化合物作为心力增强剂和降压剂、制药组合物以及使用这些剂治疗疾病的方法，以及制备上述化合物的过程。