2-[[2-[(3-羟基苯基)氨基]-4-嘧啶基]氨基]苯甲酰胺

• 常用名: 2-[[2-[(3-羟基苯基)氨基]-4-嘧啶基]氨基]苯甲酰胺
• 英文名: DB07268
• CAS号: 929007-72-7
• 分子量: 321.333
• 密度: 1.4±0.1 g/cm3
• 沸点: 641.6±65.0 °C at 760 mmHg
• 分子式: C₁₇H₁₅N₅O₂
• 熔点: N/A
• 闪点: 341.8±34.3 °C

用途

DB07268 是一种有效的选择性 JNK1 抑制剂,IC50 值为 9 nM。

名称

• 中文名: 2-[[2-[(3-羟基苯基)氨基]-4-嘧啶基]氨基]苯甲酰胺
• 英文名: 2-({2-[(3-Hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzamide

生物活性

• 描述: DB07268 是一种有效的选择性 JNK1 抑制剂,IC50 值为 9 nM。
• 相关类别:
  信号通路 >> MAPK/ERK信号通路 >> JNK
  研究领域 >> 癌症
• 靶点实验:

  JNK1:9 nM (IC50)

  CHK1:0.82 μM (IC50)

  PAK4:5.5 μM (IC50)

  AKT1:15 μM (IC50)

  ERK2:25 μM (IC50)

• 体外研究: DB07268(化合物2b)也抑制CHK1,PAK4,AKT1和ERK2,IC50分别为0.82μM,5.5μM,15μM和25μM[1]。
• 参考文献:

  [1]. Liu M, et al. Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Bioorg Med Chem Lett. 2007 Feb 1;17(3):668-72.

物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 641.6±65.0 °C at 760 mmHg
• 分子式: C₁₇H₁₅N₅O₂
• 分子量: 321.333
• 闪点: 341.8±34.3 °C
• 精确质量: 321.122589
• LogP: 1.96
• InChIKey: QHPKKGUGRGRSGA-UHFFFAOYSA-N
• SMILES: NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
• 外观性状: light yellow solid
• 蒸汽压: 0.0±2.0 mmHg at 25°C
• 折射率: 1.753
• 储存条件: -20°C

靶点实验

查看更多实验

实验名称：Inhibition of JNK1 (unknown origin) expressed in HEK293 cells assessed as anisomycin-... 来源：ChEMBL 靶标：Mitogen-activated protein kinase 8 External Id：CHEMBL3751433

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Inhibition of JNK1 (unknown origin) expressed in HEK293 cells assessed as anisomycin-... 来源：ChEMBL 靶标：Mitogen-activated protein kinase 8 External Id：CHEMBL3751432

实验名称：Inhibition of JNK1 (unknown origin) 来源：ChEMBL 靶标：Mitogen-activated protein kinase 8 External Id：CHEMBL3751431

实验名称：Experimentally measured binding affinity data (IC50) for protein-ligand complexes der... 来源：Shanghai Institute of Organic Chemistry 靶标：N/A External Id：PDBbind-IC50 for protein-ligand complexes

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Cellular viability qHTS for adrenocortical cancer (ACC) cell line SW-13 来源：NCGC 靶标：N/A External Id：ACC-ATC-p1-SW13-72hr

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

实验名称：Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295R 来源：NCGC 靶标：N/A External Id：ACC-ATC-p1-H295R-72hr

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英文别名

• 2-({2-[(3-Hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzamide
• MFCD26960941
• DB07268