(2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

• 常用名: (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• 英文名: (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• CAS号: 2341740-85-8
• 分子量: 1061.1
• 密度: N/A
• 沸点: N/A
• 分子式: C₅₂H₅₉F₃N₈O₁₁S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

物理化学性质

• 分子式: C₅₂H₅₉F₃N₈O₁₁S
• 分子量: 1061.1
• InChIKey: UVVQLQQNGHYTOL-JIVXZRRKSA-N
• SMILES: COc1cc(C(=O)NCCOCCOCCOCC(=O)NC(C(=O)N2CC(O)CC2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1

靶点实验

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实验名称：Thermodynamic solubility of the compound in phosphate buffer at pH 7 incubated for 1 ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5105246

实验名称：Thermal Shift Assay. Domain start/stop: M626-G740 来源：ChEMBL 靶标：Peregrin External Id：CHEMBL4650107

实验名称：Thermal Shift Assay. Domain: start/stop: M1-L298 来源：ChEMBL 靶标：Cyclin-dependent kinase 2 External Id：CHEMBL5062802

实验名称：Protac activity at VHL/PTK2 in human A549 cells assessed as induction of PTK2 degrada... 来源：ChEMBL 靶标：von Hippel-Lindau disease tumor suppressor External Id：CHEMBL4675419

实验名称：Protac activity at VHL/PTK2 in human A549 cells assessed as induction of PTK2 degrada... 来源：ChEMBL 靶标：von Hippel-Lindau disease tumor suppressor External Id：CHEMBL4675421

实验名称：Inhibition of human PTK2 (411-689 residues) expressed in Hi-5 cells 来源：ChEMBL 靶标：Focal adhesion kinase 1 External Id：CHEMBL4675423

实验名称：Thermal Shift Assay. Domain: start/stop: M26-R383 来源：ChEMBL 靶标：Glycogen synthase kinase-3 beta External Id：CHEMBL5065589

实验名称：Thermal Shift Assay. Domain: start/stop: S229-K512 来源：ChEMBL 靶标：Tyrosine-protein kinase ABL1 External Id：CHEMBL5060015

实验名称：Protac activity at VHL/PTK2 in human HuH-1 cells assessed as induction of PTK2 degrad... 来源：ChEMBL 靶标：von Hippel-Lindau disease tumor suppressor External Id：CHEMBL4675348

实验名称：Protac activity at VHL/PTK2 in human HepG2 cells assessed as induction of PTK2 degrad... 来源：ChEMBL 靶标：von Hippel-Lindau disease tumor suppressor External Id：CHEMBL4675347

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