3-[8-[4-anilino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-N-phenyl-1,2,4-triazol-4-amine

• 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: 3-[8-[4-anilino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-N-phenyl-1,2,4-triazol-4-amine
• 化学式: C₃₈H₄₂N₈O₂
• 分子量: 642.8
• InChiKey: WUGBJQZFEUEUFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  48
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Non-peptide agonists and antagonists of adrenomedullin and gastrin releasing peptide
  申请人：The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services

  公开号：EP2339351A1

  公开（公告）日：2011-06-29

  This invention relates, e.g., to methods for inhibiting or stimulating an activity of an adrenomedullin (AM) or gastrin releasing peptide (GRP) peptide hormone, comprising contacting the peptide with a small molecule, non-peptide, modulatory agent which binds to the hormone moiety, rather than to the hormone receptor. Complexes of these modulatory agents with other components, such as the peptides or blocking antibodies specific for the peptides, are also described, as are pharmaceutical compositions comprising the modulatory agents, and methods for using the modulatory agents to diagnose or treat patients.

  本发明涉及抑制或刺激肾上腺髓质素(AM)或胃泌素释放肽(GRP)多肽激素活性的方法，包括将多肽与小分子非肽调节剂接触，调节剂与激素分子而不是激素受体结合。此外，还介绍了这些调节剂与其他成分（如肽或针对肽的特异性阻断抗体）的复合物，以及包含调节剂的药物组合物和使用调节剂诊断或治疗患者的方法。
• Non Peptide Agonists and Antagonists of Adrenomedullin and Gastric Releasing Peptide
  申请人：Cuttitta Frank

  公开号：US20080249115A1

  公开（公告）日：2008-10-09

  This invention relates, e.g., to methods for inhibiting or stimulating an activity of an adrenomedullin (AM) or gastrin releasing peptide (GRP) peptide hormone, comprising contacting the peptide with a small molecule, non-peptide, modulatory agent of the invention. Complexes of these modulatory agents with other components, such as the peptides or blocking antibodies specific for the peptides, are also described, as are pharmaceutical compositions comprising the modulatory agents, and methods for using the modulatory agents to diagnose or treat patients.
• NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE
  申请人：CUTTITTA Frank

  公开号：US20120232107A1

  公开（公告）日：2012-09-13

  This invention relates, e.g., to methods for inhibiting or stimulating an activity of an adrenomedullin (AM) or gastrin releasing peptide (GRP) peptide hormone, comprising contacting the peptide with a small molecule, non-peptide, modulatory agent of the invention. Complexes of these modulatory agents with other components, such as the peptides or blocking antibodies specific for the peptides, are also described, as are pharmaceutical compositions comprising the modulatory agents, and methods for using the modulatory agents to diagnose or treat patients.