(1S,4S)-N-(3-(2-((9H-purin-6-ylthio)methyl)-5-chloro-4-oxoquinazolin-3(4H)-yl)-4-methoxyphenyl)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide | 1313993-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (1S,4S)-N-(3-(2-((9H-purin-6-ylthio)methyl)-5-chloro-4-oxoquinazolin-3(4H)-yl)-4-methoxyphenyl)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
• 英文别名: (1S,4S)-N-[3-[5-chloro-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]-4-methoxyphenyl]-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
• CAS: 1313993-29-1
• 化学式: C₂₇H₂₁ClN₈O₅S
• 分子量: 605.033
• InChiKey: GRLYASJRBFFWMC-KSSFIOAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  180
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN
  申请人：Petter Russell C.

  公开号：US20110269244A1

  公开（公告）日：2011-11-03

  The present invention relates to enzyme inhibitors. More specifically, the present invention relates to ligand-directed covalent modification of proteins; method of designing same; pharmaceutical formulation of same; and method of use.

  本发明涉及酶抑制剂。更具体地说，本发明涉及配体导向的蛋白共价修饰；相同设计方法；相同的药物配方；以及使用方法。
• Ligand-Directed Covalent Modification of Protein
  申请人：Celgene CAR LLC

  公开号：US20170218353A1

  公开（公告）日：2017-08-03

  The present invention relates to enzyme inhibitors. More specifically, the present invention relates to ligand-directed covalent modification of proteins; method of designing same; pharmaceutical formulation of same; and method of use.