2-(1-氧代异吲哚啉-2-基)-2-苯基-N-(噻唑-2-基)乙酰胺

• 常用名: 2-(1-氧代异吲哚啉-2-基)-2-苯基-N-(噻唑-2-基)乙酰胺
• 英文名: EAI001
• CAS号: 892772-75-7
• 分子量: 349.41
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₉H₁₅N₃O₂S
• 熔点: N/A
• 闪点: N/A

用途

EAI001是一种有效的选择性突变表皮生长因子受体(EGFR)变构抑制剂,EGFRL858R/T790M的IC50值为24 nM。EAI001可用于癌症研究[1][2]。

名称

• 中文名: 2-(1-氧代异吲哚啉-2-基)-2-苯基-N-(噻唑-2-基)乙酰胺
• 英文名: 2-(1-Oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide

生物活性

• 描述: EAI001是一种有效的选择性突变表皮生长因子受体(EGFR)变构抑制剂,EGFRL858R/T790M的IC50值为24 nM。EAI001可用于癌症研究[1][2]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> JAK/STAT信号通路 >> EGFR
  信号通路 >> 蛋白酪氨酸激酶 >> EGFR
• 体外研究: EAI001(50μM)与EGFR T790M/C797S/V948R结合,后者位于EGFR内部深处,朝向ATP结合位点和C螺旋。EAI001由于与氨基酸Ile759、Leu747、Leu788、Leu777和Met766的疏水相互作用而表现出抑制活性[1]。
• 参考文献:

  [1]. Maity S, et, al. Advances in targeting EGFR allosteric site as anti-NSCLC therapy to overcome the drug resistance. Pharmacol Rep. 2020 Aug;72(4):799-813.

  [2]. Tinivella A, et, al. Investigating the selectivity of allosteric inhibitors for mutant t790m egfr over wild type using molecular dynamics and binding free energy calculations. 2018 Dec 4;3(12):16556-62.

物理化学性质

• 分子式: C₁₉H₁₅N₃O₂S
• 分子量: 349.41
• InChIKey: PWRVRDCBFYLYFU-UHFFFAOYSA-N
• SMILES: O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccccc2C1=O
• 储存条件: 室温

靶点实验

查看更多实验

实验名称：Inhibition of EGFR Del19/T790M/C797S triple mutant in mouse BaF3 cells assessed as ce... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5330549

实验名称：Anticancer activity against human NCI-H1975 cells assessed as cell growth inhibition ... 来源：ChEMBL 靶标：NCI-H1975 External Id：CHEMBL5330550

实验名称：Inhibition of EGFR L858R/T790M/C797S triple mutant in mouse BaF3 cells assessed as ce... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5330548

实验名称：Inhibition of EGFR L858R/T790M double mutant (unknown origin) 来源：ChEMBL 靶标：Epidermal growth factor receptor External Id：CHEMBL5143776

实验名称：Inhibition of EGFR Del19/T790M/C797S mutant (unknown origin) 来源：ChEMBL 靶标：Epidermal growth factor receptor External Id：CHEMBL5587334

实验名称：Inhibition of wild type EGFR (unknown origin) 来源：ChEMBL 靶标：Epidermal growth factor receptor External Id：CHEMBL5143770

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

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英文别名

• MFCD30187870