N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• 化学式: C₅₉H₇₂ClF₃N₁₄O₁₁S
• 分子量: 1277.8
• InChiKey: ZARIJGOMONLTHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  89
• 可旋转键数：
  39
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  295
• 氢给体数：
  4
• 氢受体数：
  26

文献信息

• [EN] BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME<br/>[FR] LIGANDS DE BCR-ABL TYROSINE KINASE BIVALENTS ET LEURS MÉTHODES D'UTILISATION
  申请人：COFERON INC

  公开号：WO2015106294A1

  公开（公告）日：2015-07-16

  Described herein are compounds capable of modulating one or more biomolecules substantially simultaneously, e.g., modulating two or more binding sites on a protein, e.g., Bcr-AbI tyrosine kinase, as well as methods for the treatment of diseases related to said modulation of a protein including various cancers, and further including drug resistant cancers.