2-Quinolinamine, 4-ethyl-

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-Quinolinamine, 4-ethyl-
• 英文别名: 4-ethylquinolin-2-amine
• 化学式: C₁₁H₁₂N₂
• 分子量: 172.23
• InChiKey: KWKVDCPULBZFDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] SH3 PROTEIN DOMAINS AND THEIR LIGANDS<br/>[FR] DOMAINES PROTEINIQUES SH3 ET LEURS LIGANDS
  申请人：ADELAIDE RES & INNOVATION PTY

  公开号：WO2003013523A1

  公开（公告）日：2003-02-20

  The present invention relates generally to molecules capable of interaction with one or more domains within a proteinaceous molecule such as a peptide, polypeptide, protein or a macromolecule comprising a proteinaceous molecule. More particularly the present invention relates to molecules including ligands which are capable of interacting with, and more particularly, binding to, SH3 protein domains or homologs thereof and even more particularly to molecules including ligands which are capable of binding to SH3 domains having a three-dimensional ligand-binding site comprising a negatively charged residue and a hydrophobic residue linearly separated by at least five amino acid residues. The subject invention is preferably directed to the use of 2-aminopyridine, 2-aminoquinoline, 1-aminoisoquinoline and derivatives, homologs, analogs and mimetics thereof or pharmaceutically acceptable salts thereof which interact with SH3 domains, and more particularly to the binding of 2-aminopyridine, 2-aminoquinoline, 1-aminoisoquinoline and derivatives analogs and mimetics to SH3 domains as defined above. The present invention contemplates the use of a three dimensional structure of the subject SH3 domain to identify, screen and design amino-substituted and amino-substituted pyridines and aminoquinolines capable of binding to an SH3 domain. The present invention is also useful for the in silico selection of derivatives homologs, analogs and mimetics of 2-aminopyridine, 2-aminoquinoline, 1-aminoisoquinoline capable of binding to SH3 domains. The ligands of the present invention are useful in the development of a range of therapeutic and diagnostic agents.