2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-(methylcarbamoyl)butanoic acid

• 常用名: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-(methylcarbamoyl)butanoic acid
• 英文名: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-(methylcarbamoyl)butanoic acid
• CAS号: 67036-48-0
• 分子量: 467.48100
• 密度: 1.445g/cm3
• 沸点: N/A
• 分子式: C₂₁H₂₅N₉O₄
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid

物理化学性质

• 密度: 1.445g/cm3
• 分子式: C₂₁H₂₅N₉O₄
• 分子量: 467.48100
• 精确质量: 467.20300
• PSA: 202.34000
• LogP: 1.87400
• InChIKey: BOKUWBZDTDLPGM-UHFFFAOYSA-N
• SMILES: CNC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O

靶点实验

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实验名称：Inhibition of Dihydrofolate reductase in mouse L1210 cells 来源：ChEMBL 靶标：Dihydrofolate reductase External Id：CHEMBL667316

实验名称：The compound was compared with MTX with respect to cytotoxicity toward H.Ep.-2 cells. 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL849762

实验名称：Percent increase in life span was measured against L1210 murine leukemia cells at the... 来源：ChEMBL 靶标：L1210 External Id：CHEMBL707310

实验名称：Km value was measured as influx in L1210 cell membrane transport. 来源：ChEMBL 靶标：L1210 External Id：CHEMBL859422

实验名称：Effective dose against H.Ep.-2 cells 来源：ChEMBL 靶标：HEp-2 External Id：CHEMBL687049

实验名称：k value was measured as efflux in L1210 cell membrane transport. 来源：ChEMBL 靶标：L1210 External Id：CHEMBL701864

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