N-(4-chlorophenyl)-2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-(4-chlorophenyl)-2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide
• 化学式: C₂₆H₂₇ClN₈O₃S₂
• 分子量: 599.1
• InChiKey: RZECSNSHPDZMLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  171
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• US8455252B2
  申请人：——

  公开号：US8455252B2

  公开（公告）日：2013-06-04
• [EN] MATERIALS AND METHODS FOR SENSITIZING MULTIDRUG RESISTANT CELLS<br/>[FR] SUBSTANCES ET PROCÉDÉS DE SENSIBILISATION DE CELLULES MULTIRÉSISTANTES
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2010048603A1

  公开（公告）日：2010-04-29

  Disclosed herein are materials and methods for sensitizing multidrug resistant cancer cells that express ABCG2 and related proteins members of a family of ATP -binding transporter superfamily that mediate drug efflux found in some types of multidrug resistant caner cells. A series of compounds, including (N-(4-chlorophenyl)-2-[(6- [4,6-di(4-morpholinyl)-l,3,5-triazin-2-yl]amino}-l,3-benzothiazol-2-yl)sulfanyl]acetamide), specifically inhibits ABCG2 and can be used to boost the bio-availability of one or more effective cancer killing drugs, making it possible to use certain widely used chemotherapeutic reagent to treat multidrug resistance cancers. Using these compounds in combination with chemotherapeutic drugs that are substrates for ABCG2 and related proteins may also find utility in treating cancer cells that are not currently identified as multi-drug resistant. Additionally, these compounds appear to accelerate the intercellular degradation of ABCG2 and related proteins. They are not toxic to animals at levels at which they effect the activity of ABCG2 expressed in multi-drug resistant cancer lines.