4-DeMethyltriMethopriM

• 常用名: 4-DeMethyltriMethopriM
• 英文名: 4-DeMethyltriMethopriM
• CAS号: 21253-58-7
• 分子量: 276.29
• 密度: 1.3±0.1 g/cm3
• 沸点: 567.4±60.0 °C at 760 mmHg
• 分子式: C₁₃H₁₆N₄O₃
• 熔点: N/A
• 闪点: 296.9±32.9 °C

4-DeMethyltriMethopriM用途

4′-DTMP 是 DHFR 抑制剂,Ki 分别为 5.1 nM (DHFRWT) 和 34.3 nM (DHFRL28R)。4′-DTMP 带有极性修饰,会诱导与酶的额外局部相互作用。特别是 M20 环上的发卡结构,与 DHFR 的内部通信有关。4′-DTMP 具有潜在的大肠杆菌 (E.coli) 抑制作用。

4-DeMethyltriMethopriM名称

• 英文名: 4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol

4-DeMethyltriMethopriM生物活性

• 描述: 4′-DTMP 是 DHFR 抑制剂,Ki 分别为 5.1 nM (DHFRWT) 和 34.3 nM (DHFRL28R)。4′-DTMP 带有极性修饰,会诱导与酶的额外局部相互作用。特别是 M20 环上的发卡结构,与 DHFR 的内部通信有关。4′-DTMP 具有潜在的大肠杆菌 (E.coli) 抑制作用。
• 相关类别:
  研究领域 >> 感染
• 靶点实验:

  Ki: 5.1 nM (WT), 34.3 nM (L28R)[1]

• 参考文献:

  [1]. Cetin E, et al. Kinetic Barrier to Enzyme Inhibition Is Manipulated by Dynamical Local Interactions in E. coli DHFR. J Chem Inf Model. 2023 Aug 14;63(15):4839-4849.

4-DeMethyltriMethopriM物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 567.4±60.0 °C at 760 mmHg
• 分子式: C₁₃H₁₆N₄O₃
• 分子量: 276.29
• 闪点: 296.9±32.9 °C
• 精确质量: 276.122253
• LogP: -0.09
• InChIKey: HPOCGNHBIFZCAN-UHFFFAOYSA-N
• SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.652

4-DeMethyltriMethopriM靶点实验

查看更多实验

实验名称：Minimum inhibitory concentration versus trimethoprim against Dihydrofolate Reductase ... 来源：ChEMBL 靶标：Dihydrofolate reductase External Id：CHEMBL667199

实验名称：Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei 来源：ChEMBL 靶标：Bifunctional dihydrofolate reductase-thymidylate synthase External Id：CHEMBL667766

实验名称：Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli 来源：ChEMBL 靶标：Dihydrofolate reductase External Id：CHEMBL668117

实验名称：Inhibitory activity against Dihydrofolate reductase of Escherichia coli 来源：ChEMBL 靶标：Dihydrofolate reductase External Id：CHEMBL668118

实验名称：Minimum inhibitory concentration versus trimethoprim against Dihydrofolate Reductase ... 来源：ChEMBL 靶标：Dihydrofolate reductase External Id：CHEMBL665873

实验名称：Antibacterial activity against Proteus vulgaris CN 329. 来源：ChEMBL 靶标：Proteus vulgaris External Id：CHEMBL761770

实验名称：Minimum inhibitory concentration versus trimethoprim against Dihydrofolate Reductase ... 来源：ChEMBL 靶标：Dihydrofolate reductase External Id：CHEMBL840931

实验名称：Antibacterial activity against Staphylococcus aureus CN491. 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL807014

实验名称：Antibacterial activity against trimethoprim sensitive Acinetobacter baumannii assesse... 来源：ChEMBL 靶标：Acinetobacter baumannii External Id：CHEMBL5238886

实验名称：Antibacterial activity against trimethoprim resistant Enterococcus faecium assessed a... 来源：ChEMBL 靶标：Enterococcus faecium External Id：CHEMBL5238885

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4-DeMethyltriMethopriM英文别名

• 4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol
• 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol