(E)-5-bromo-2-ethoxycinnamic acid | 575469-48-6

• 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: (E)-5-bromo-2-ethoxycinnamic acid
• 英文别名: 3-(5-Bromo-2-ethoxyphenyl)acrylic acid；(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoic acid
• CAS: 575469-48-6
• 化学式: C₁₁H₁₁BrO₃
• 分子量: 271.111
• InChiKey: ZMQAXIQIWCZKPZ-ZZXKWVIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-5-bromo-2-ethoxycinnamic acid 生成 (E)-3-(5-Bromo-2-ethoxyphenyl)-1-((S)-2-((pyrrolidin-1-yl)methyl)pyrrolidin-1-yl)propenone
  参考文献：
  名称：

  Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes

  摘要：

  氨基烷基取代的氮杂环戊烷、吡咯烷、哌啶和环庚烷的新型酰胺，以这些化合物作为药物组合物的用途，包含这些化合物的药物组合物，以及使用这些化合物和组合物进行治疗的方法。这些化合物显示出高度和选择性地结合到组胺H3受体，表明具有组胺H3受体拮抗、逆拮抗或激动活性。因此，这些化合物可用于治疗与组胺H3受体相关的疾病和疾病。

  公开号：

  US20030195190A1

文献信息

• [EN] AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES<br/>[FR] AMIDES D'AZETIDINES, DE PYRROLIDINES, DE PIPERIDINES ET D'AZEPANES AMINOALKYLE SUBSTITUES
  申请人：NOVO NORDISK AS

  公开号：WO2003064411A1

  公开（公告）日：2003-08-07

  Novel amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes, use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds, and a method of treatment employing these compounds and compositions. The compounds show a high and selective binding affinity to the histamine H3 receptor indicating histamine H3 receptor antagonistic, inverse agonistic or agonistic activity. As a result, the compounds are useful for the treatment of diseases and disorders related to the histamine H3 receptor.

  这段话的中文翻译如下： 新型的氨基烷基取代的氮杂环化合物酰胺，包括氮杂环丙烷、吡咯烷、哌啶和氮杂环庚烷的酰胺，这些化合物作为制药组合物的使用，包括这些化合物的制药组合物，以及使用这些化合物和组合物的治疗方法。这些化合物具有高度和选择性的对组胺H3受体的结合亲和力，表明它们具有组胺H3受体拮抗、反向激动剂或激动剂活性。因此，这些化合物对于治疗与组胺H3受体相关的疾病和障碍非常有用。
• Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders
  申请人：Arena Pharmaceuticals, Inc.

  公开号：US20040142377A1

  公开（公告）日：2004-07-22

  The present invention relates to methods of identifying whether a candidate compound is a modulator of a G protein-coupled receptor (GPCR). In preferred embodiments, the GPCR is human. In other preferred embodiments, the GPCR is coupled to Gi and lowers the level of intracellular cAMP. In other preferred embodiments, the GPCR is expressed endogenously by adipocytes. In further preferred embodiments, the GPCR inhibits intracellular lipolysis. In other further preferred embodiments, the GPCR is a nicotinic acid receptor. The present invention also relates to methods of using a modulator of said GPCR. Preferred modulator is agonist. Agonists of the invention are useful as therapeutic agents for the prevention or treatment of metabolic-related disorders, including dyslipidemia, atherosclerosis, coronary heart disease, stroke, insulin resistance, and type 2 diabetes.

  本发明涉及鉴定候选化合物是否为 G 蛋白偶联受体（GPCR）调节剂的方法。在优选的实施方案中，GPCR 是人类的。在其他优选的实施方案中，GPCR 与 Gi 相耦合，降低细胞内 cAMP 的水平。在其他优选的实施方案中，GPCR 由脂肪细胞内源表达。在更多优选的实施方案中，GPCR 可抑制细胞内脂肪分解。在其他更优选的实施方案中，GPCR 是烟酸受体。本发明还涉及使用所述 GPCR 的调节剂的方法。优选的调节剂是激动剂。本发明的激动剂可用作预防或治疗代谢相关疾病的治疗剂，包括血脂异常、动脉粥样硬化、冠心病、中风、胰岛素抵抗和 2 型糖尿病。
• LOW AFFINITY SCREENING METHOD
  申请人：Graffinity Pharmaceuticals Aktiengesellschaft

  公开号：EP1360489A1

  公开（公告）日：2003-11-12
• AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES
  申请人：NOVO NORDISK A/S

  公开号：EP1474419A1

  公开（公告）日：2004-11-10
• Low affinity screening method
  申请人：——

  公开号：US20040082079A1

  公开（公告）日：2004-04-29

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.