(S)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide | 1007912-24-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
• 英文别名: 2-amino-N-[(1S)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
• CAS: 1007912-24-4
• 化学式: C₃₄H₃₇N₇O₂
• 分子量: 575.713
• InChiKey: RJPIWPXFPIJADI-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 (S)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
  参考文献：
  名称：

  Trisubstituted 1,2,4-triazoles as ligands for the ghrelin receptor: On the significance of the orientation and substitution at position 3

  摘要：

  The synthesis and structure-activity relationships concerning 3,4,5-trisubstituted 1,2,4-triazoles as ghrelin receptor ligands are described. The importance of the starting aminoacid material as well as its configuration was explored and the (D) Trp residue was found to lead to the best agonist or antagonist compounds. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.113

文献信息

• Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors
  申请人：Zentaris GmbH

  公开号：EP1757290A1

  公开（公告）日：2007-02-28

  The present invention provides novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors according to formula (I) that are useful in the treatment or prophylaxis of physiological and/or pathophysiological conditions in mammals, preferably humans, that are mediated by GHS receptors. The present invention further provides GHS receptor antagonists and agonists that can be used for modulation of these receptors and are useful for treating above conditions, in particular growth retardation, cachexia, short-, medium- and/or long term regulation of energy balance; short-, medium- and/or long term regulation (stimulation and/or inhibition) of food intake; adipogenesis/adiposity/obesity; body weight gain and/or reduction; tumor cell proliferation; inflammation and/or inflammatory effects.

  本发明根据式（I）提供了新型三唑衍生物，作为生长激素分泌受体的胃泌素类似配体，可用于治疗或预防哺乳动物（最好是人类）由GHS受体介导的生理和/或病理生理状况。本发明进一步提供了可用于调节这些受体的 GHS 受体拮抗剂和激动剂，可用于治疗上述病症，特别是生长迟缓、恶病质、能量平衡的短期、中期和/或长期调节；食物摄入的短期、中期和/或长期调节（刺激和/或抑制）；脂肪生成/脂肪过多/肥胖；体重增加和/或减轻；肿瘤细胞增殖；炎症和/或炎症效应。