达美格雷 | 76894-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 达美格雷
• 中文别名: 达美格来
• 英文名称: dazmegrel
• 英文别名: 3-[3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indol-1-yl]propanoic acid；3-(1H-imidazole-1-yl-methyl)-2-methyl-1H-indole-1-propanoic acid；3-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid；3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indole-1-propanoic acid；3-[3-(1H-imidazol-3-ium-3-ylmethyl)-2-methylindol-1-yl]propanoate
• CAS: 76894-77-4
• 化学式: C₁₆H₁₇N₃O₂
• 分子量: 283.33
• InChiKey: DEQLGSOHGTZKFB-UHFFFAOYSA-N

物化性质

• 熔点：
  195-197 °C
• 沸点：
  569.6±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  3-(咪唑-1-基甲基)-2-甲基吲哚 在 氢氧化钾 、 苄基三甲基氢氧化铵 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 为溶剂， 反应 4.5h， 生成 达美格雷
  参考文献：
  名称：

  Selective thromboxane synthetase inhibitors. 2. 3-(1H-Imidazol-1-ylmethyl)-2-methyl-1H-indole-1-propanoic acid and analogs.

  摘要：

  The preparation of a series of 3-(1H-imidazol-1-ylmethyl)-1H-indole-1-alkanoic acids is described. Several compounds were found to be more potent thromboxane synthetase inhibitors than the corresponding analogues lacking an acidic substituent. In the cases examined, compounds had no significant activity against PGI2 synthetase or cyclooxygenase, and introduction of the carboxylic acid substituent led to a reduction in activity against adrenal steroid 11 beta-hydroxylase. Compound 21 strongly inhibited thromboxane formation after iv administration to anesthetized rabbits and oral administration to conscious dogs. The compound had a long duration of action, and marked inhibition of thromboxane production was observed 15 h after oral administration of 1 mg/kg to conscious dogs.

  DOI：

  10.1021/jm00153a007

文献信息

• [EN] 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES<br/>[FR] COMPOSÉS ISOFLAVONOÏDES SUBSTITUÉS EN POSITION 2, MÉDICAMENTS ET UTILISATIONS
  申请人：NOVOGEN RES PTY LTD

  公开号：WO2009003229A1

  公开（公告）日：2009-01-08

  2-Substituted isoflavonoid compounds and pharmaceutical compositions containing same are useful as anti-inflammatory agents and antioxidants and for the treatment of related diseases and conditions.

  2-取代异黄酮化合物和含有这些化合物的药物组合物可用作抗炎剂和抗氧化剂，用于治疗相关疾病和症状。
• [EN] PRODRUG COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT ET PROCÉDÉS DE TRAITEMENT
  申请人：AQUESTIVE THERAPEUTICS INC

  公开号：WO2021087359A1

  公开（公告）日：2021-05-06

  Pharmaceutical compositions include a prodrug of epinephrine are described.

  药物组合物包括表述的肾上腺素前药。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• [EN] COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES<br/>[FR] COMPOSÉS POUR TRAITER DES MALADIES RESPIRATOIRES
  申请人：UNIV MELBOURNE

  公开号：WO2018201192A1

  公开（公告）日：2018-11-08

  The present invention relates to new compounds that are useful in the prevention or treatment of respiratory diseases, such as asthma, to the preparation of the compounds, and to compositions including the compounds. The present invention also relates to the use of the compounds, as well as compositions including the compounds, in treating or preventing respiratory diseases.

  本发明涉及新化合物，可用于预防或治疗呼吸道疾病，如哮喘，以及制备这些化合物和包括这些化合物的组合物。本发明还涉及利用这些化合物以及包括这些化合物的组合物来治疗或预防呼吸道疾病。
• Serotonin antagonists
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US20040176413A1

  公开（公告）日：2004-09-09

  The present invention is directed to a new class of serotonin 5HT2 antagonists and thier use in the treatment of a variety of diseases.

  本发明涉及一种新型的5HT2受体拮抗剂及其在治疗各种疾病中的应用。