(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

• 常用名: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• 英文名: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• CAS号: 2301916-70-9
• 分子量: 1010.2
• 密度: N/A
• 沸点: N/A
• 分子式: C₄₈H₅₈F₃N₉O₈S₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

物理化学性质

• 分子式: C₄₈H₅₈F₃N₉O₈S₂
• 分子量: 1010.2
• InChIKey: WVWFJWJYLUTFRG-QLMCDVMBSA-N
• SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCCOC4=CC=C(C=C4)NC5=NC=C(C(=N5)NCC6=CC(=CC=C6)N(C)S(=O)(=O)C)C(F)(F)F)O

靶点实验

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实验名称：Inhibition of human recombinant FAK using poly[Glu:Tyr] (4:1) substrate in presence o... 来源：ChEMBL 靶标：Focal adhesion kinase 1 External Id：CHEMBL4382186

实验名称：Protac activity at E3 Ubiquitin-protein ligase/Focal adhesion kinase in human PC3 cel... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4382187

实验名称：Protac activity at E3 Ubiquitin-protein ligase/Focal adhesion kinase in human PC3 cel... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4382188

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