Methyl 2-[3-(3-acetylbenzo[e]indazol-7-yl)propanoylamino]benzoate | 1146206-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-[3-(3-acetylbenzo[e]indazol-7-yl)propanoylamino]benzoate
• CAS: 1146206-20-3
• 化学式: C₂₄H₂₁N₃O₄
• 分子量: 415.448
• InChiKey: UQWNZZBRTFXVMM-UHFFFAOYSA-N

物化性质

• 密度：
  1.29±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2-[3-(3-acetylbenzo[e]indazol-7-yl)propanoylamino]benzoate 在 sodium ethanolate 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 methyl 2-[3-(3H-benzo[e]indazol-7-yl)propanoylamino]benzoate
  参考文献：
  名称：

  Discovery of Novel Tricyclic Full Agonists for the G-Protein-Coupled Niacin Receptor 109A with Minimized Flushing in Rats

  摘要：

  Tricyclic analogues were rationally designed as the high affinity niacin receptor G-protein-coupled receptor 109A (GPR109A) agonists by overlapping three lead structures. Various tricyclic anthranilide and cycloalkene carboxylic acid full agonists were discovered with excellent in vitro activity. Compound 2g displayed a good therapeutic index regarding free fatty acids (FFA) reduction and vasodilation effects in rats, with very weak cytochrome P450 2C8 (CYP2C8) and cytochrome P450 2C9 (CYP2C9) inhibition, and a good mouse pharmacokinetics (PK) profile.

  DOI：

  10.1021/jm900151e
• 作为产物：
  描述：

  Methyl 2-[3-(6-acetamido-5-methylnaphthalen-2-yl)propanoylamino]benzoate 在 18-冠醚-6 、 亚硝酸正戊酯 、 potassium acetate 、 乙酸酐 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 以64%的产率得到Methyl 2-[3-(3-acetylbenzo[e]indazol-7-yl)propanoylamino]benzoate
  参考文献：
  名称：

  Discovery of Novel Tricyclic Full Agonists for the G-Protein-Coupled Niacin Receptor 109A with Minimized Flushing in Rats

  摘要：

  Tricyclic analogues were rationally designed as the high affinity niacin receptor G-protein-coupled receptor 109A (GPR109A) agonists by overlapping three lead structures. Various tricyclic anthranilide and cycloalkene carboxylic acid full agonists were discovered with excellent in vitro activity. Compound 2g displayed a good therapeutic index regarding free fatty acids (FFA) reduction and vasodilation effects in rats, with very weak cytochrome P450 2C8 (CYP2C8) and cytochrome P450 2C9 (CYP2C9) inhibition, and a good mouse pharmacokinetics (PK) profile.

  DOI：

  10.1021/jm900151e

文献信息

• Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment
  申请人：Colletti L. Steven

  公开号：US20070299101A1

  公开（公告）日：2007-12-27

  The present invention relates to niacin receptor agonists of formula: (I); as well as pharmaceutically acceptable salts and solvates. The compounds are useful for treating dyslipidemias, and in particular, reducing serum LDL, VLDL and triglycerides, and raising HDL levels. Pharmaceutical compositions and methods of treatment are also included.

  本发明涉及公式（I）的烟酸受体激动剂，以及药学上可接受的盐和溶剂。这些化合物对于治疗脂质代谢异常，特别是降低血清低密度脂蛋白（LDL）、超低密度脂蛋白（VLDL）和三酰甘油，并提高高密度脂蛋白（HDL）水平是有用的。还包括药物组合物和治疗方法。
• [EN] NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] AGONISTES DES RECEPTEURS DE NIACINE, COMPOSITIONS CONTENANT LESDITS COMPOSES ET METHODES DE TRAITEMENT
  申请人：MERCK & CO INC

  公开号：WO2006052555A3

  公开（公告）日：2006-06-22