2-[2-(3-Ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-[2-(3-Ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
• 化学式: C₂₄H₂₉NO₃S
• 分子量: 411.6
• InChiKey: PXXGMVVQGLALJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• EGF/EGFR COMPLEX
  申请人：Japan Science and Technology Agency

  公开号：EP1479693A1

  公开（公告）日：2004-11-24

  The present invention relates to a crystal of a complex of an epidermal growth factor (EGF) and an epidermal growth factor receptor (EGFR), a crystal of a complex of EGFR and a substance regulating EGFR activity, structure coordinates of these crystals, a method for screening for the substance regulating EGFR activity, a method for designing the substance regulating EGFR activity, a method for designing an EGFR variant or an EGF variant, a method for producing an EGFR variant or an EGF variant and an EGF variant or an EGFR variant obtainable by such method, a method for designing an epitope using the structure coordinates of the EGF-EGFR complex, a method for producing an anti-EGFR antibody or an anti-EGF antibody and an antibody obtainable by such method, a polypeptide or a salt thereof comprising a region that forms an EGFR dimerization site, and the like.

  本发明涉及表皮生长因子(EGF)和表皮生长因子受体(EGFR)复合物的晶体、表皮生长因子受体和调节表皮生长因子受体活性的物质的复合物的晶体、这些晶体的结构坐标、筛选调节表皮生长因子受体活性的物质的方法、设计调节表皮生长因子受体活性的物质的方法、设计表皮生长因子受体变体或表皮生长因子受体变体的方法、利用 EGF-EGFR 复合物的结构坐标设计表位的方法、生产抗 EGFR 抗体或抗 EGF 抗体的方法以及通过这种方法获得的抗体、包含形成 EGFR 二聚化位点的区域的多肽或其盐等。
• Egf/egfr complex
  申请人：Yokoyama Shigeyuki

  公开号：US20070032637A1

  公开（公告）日：2007-02-08

  The present invention relates to a crystal of a complex of an epidermal growth factor (EGF) and an epidermal growth factor receptor (EGFR), a crystal of a complex of EGFR and a substance regulating EGFR activity, structure coordinates of these crystals, a method for screening for the substance regulating EGFR activity, a method for designing the substance regulating EGFR activity, a method for designing an EGFR variant or an EGF variant, a method for producing an EGFR variant or an EGF variant and an EGF variant or an EGFR variant obtainable by such method, a method for designing an epitope using the structure coordinates of the EGF-EGFR complex, a method for producing an anti-EGFR antibody or an anti-EGF antibody and an antibody obtainable by such method, a polypeptide or a salt thereof comprising a region that forms an EGFR dimerization site, and the like.
• US7514240B2
  申请人：——

  公开号：US7514240B2

  公开（公告）日：2009-04-07