(Z)-4-[2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]-6-methylpyrimidin-5-yl]-3-sulfanylbut-3-en-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (Z)-4-[2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]-6-methylpyrimidin-5-yl]-3-sulfanylbut-3-en-2-one
• 化学式: C₂₁H₂₆Cl₂N₄O₂S
• 分子量: 469.4
• InChiKey: AGFUYLJRYZTCKC-GRSHGNNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] TARGETED THERAPEUTICS<br/>[FR] AGENTS THÉRAPEUTIQUES CIBLÉS
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2013158644A2

  公开（公告）日：2013-10-24

  The present invention provides pharmacological compounds including an effector moiety conjugated to a binding moiety that directs the effector moiety to a biological target of interest. Likewise, the present invention provides compositions, kits, and methods (e.g., therapeutic, diagnostic, and imaging) including the compounds. The compounds can be described as a protein interacting binding moiety-drug conjugate (SDC-TRAP) compounds, which include a protein interacting binding moiety and an effector moiety. For example, in certain embodiments directed to treating cancer, the SDC-TRAP can include an Hsp90 inhibitor conjugated to a cytotoxic agent as the effector moiety.