1-[4-[2-[2-[2-[2-[[1-[2-[2-[2-[2-[4-(5-Methylsulfonyltetrazol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzoyl]azetidin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 1-[4-[2-[2-[2-[2-[[1-[2-[2-[2-[2-[4-(5-Methylsulfonyltetrazol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzoyl]azetidin-2-one
• 英文别名: 1-[4-[2-[2-[2-[2-[[1-[2-[2-[2-[2-[4-(5-methylsulfonyltetrazol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzoyl]azetidin-2-one
• 化学式: C₃₈H₅₂N₈O₁₃S
• 分子量: 860.9
• InChiKey: BPNCLWUJEJWJIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  60
• 可旋转键数：
  32
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  237
• 氢给体数：
  0
• 氢受体数：
  18

文献信息

• [EN] NOVEL THIOL & AMINO MODIFYING REAGENTS FOR PROTEIN CHEMISTRY AND METHODS OF USE THEREOF<br/>[FR] NOUVEAUX RÉACTIFS DE MODIFICATION DE GROUPEMENTS THIOL ET AMINE DESTINÉS À UNE CHIMIE DE PROTÉINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2014144878A2

  公开（公告）日：2014-09-18

  Provided herein are aryl and heteroaryl sulfone and sulfoxide modifying agents for facile and selective chemical alteration of proteins at thiol in cysteine residues, thiol- and selenol-containing moieties. Also provided herein are TAK242 derivatives for selective reaction with amino-containing compounds. The modifying agents disclosed herein can be used under mild reaction conditions for a variety of conjugation applications in molecules that possess amino, thiol or selenol functionalities. Also provided herein are methods of chemoselectively modifying a moiety containing the amino acids cysteine or lysine. Provided herein are CCR5 and CXCR antagonist derivatives modified for bioconjugation to macromolecules.