Thioacetic acid S-((E)-but-1-enyl) ester | 62904-20-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: Thioacetic acid S-((E)-but-1-enyl) ester
• 英文别名: S-but-1-enyl ethanethioate
• CAS: 62904-20-5
• 化学式: C₆H₁₀OS
• 分子量: 130.211
• InChiKey: WUSCJIVFCQDJIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Novel bifunctional linking compounds, conjugates and methods for their production
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0457250A2

  公开（公告）日：1991-11-21

  The present invention provides novel N-substituted hydrazine bifunctional compounds, novel N-substituted hydrazone derivatives of a cytotoxic reagent incorporating the bifunctional compounds, novel conjugates containing at least one cytotoxic reagent molecule reacted with the bifunctional compound and bound to a molecule reactive with a target cell population, methods for their production, and pharmaceutical compositions and methods for delivering cytotoxic reagents to a target population of cells. The hydrazone bonds of the conjugates of the invention permit the release of free cytotoxic reagent from the conjugates in the acidic external or internal environment of the target cells. The bifunctional compounds, derivatives, conjugates and methods of the invention are useful in antibody-or ligand-mediated drug delivery systems for the preferential killing of a target cell population to treat diseases such as cancers, infections and autoimmune disorders.

  本发明提供了新型 N-取代肼双官能团化合物、含有双官能团化合物的细胞毒性试剂的新型 N-取代腙衍生物、含有至少一个与双官能团化合物反应并与靶细胞群反应分子结合的细胞毒性试剂分子的新型共轭物、其生产方法以及向靶细胞群递送细胞毒性试剂的药物组合物和方法。本发明共轭物的腙键允许在靶细胞的酸性外部或内部环境中从共轭物中释放游离细胞毒性试剂。本发明的双功能化合物、衍生物、共轭物和方法可用于抗体或配体介导的给药系统，优先杀死靶细胞群，治疗癌症、感染和自身免疫性疾病等疾病。