AKR1C1-IN-1

• 常用名: AKR1C1-IN-1
• 英文名: 5-Bromo-4-hydroxy-3-biphenylcarboxylic acid
• CAS号: 4906-68-7
• 分子量: 293.113
• 密度: 1.6±0.0 g/cm3
• 沸点: 439.2±0.0 °C at 760 mmHg
• 分子式: C₁₃H₉BrO₃
• 熔点: N/A
• 闪点: 219.4±0.0 °C

AKR1C1-IN-1用途

AKR1C1-IN-1 是一种高效、选择性的 AKR1C1 抑制剂,其 Ki 值为 4 nM。

AKR1C1-IN-1名称

• 中文名: 3-bromo-5-phenylsalicylic acid
• 英文名: 3-bromo-2-hydroxy-5-phenylbenzoic acid

AKR1C1-IN-1生物活性

• 描述: AKR1C1-IN-1 是一种高效、选择性的 AKR1C1 抑制剂,其 Ki 值为 4 nM。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 神经疾病
• 靶点实验:

  Ki: 4 nM (AKR1C1), 87 nM (AKR1C2), 4.2 μM (AKR1C3), 18.2 μM (AKR1C4)[1]

• 体外研究: AKR1C1-IN-1在AKR1C1过度表达的BAECs中可能抑制孕酮的代谢,其IC50为460nm[1]。
• 参考文献:

  [1]. El-Kabbani O, et al. Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). J Med Chem. 2009 May 28;52(10):3259-64.

AKR1C1-IN-1物理化学性质

• 密度: 1.6±0.0 g/cm3
• 沸点: 439.2±0.0 °C at 760 mmHg
• 分子式: C₁₃H₉BrO₃
• 分子量: 293.113
• 闪点: 219.4±0.0 °C
• 精确质量: 291.974000
• PSA: 57.53000
• LogP: 4.43
• InChIKey: XVZSXNULHSIRCQ-UHFFFAOYSA-N
• SMILES: O=C(O)c1cc(-c2ccccc2)cc(Br)c1O
• 外观性状: 固体
• 蒸汽压: 0.0±0.0 mmHg at 25°C
• 折射率: 1.663
• 储存条件: 2-8°C，密封，干燥

AKR1C1-IN-1靶点实验

查看更多实验

实验名称：Inhibition of human recombinant 20-alpha HSD expressed in BAEC assessed as inhibition... 来源：ChEMBL 靶标：Aldo-keto reductase family 1 member C1 External Id：CHEMBL968789

实验名称：Selectivity ratio of Ki for human type 3 3-alpha-HSD to Ki for human 20-alpha HSD 来源：ChEMBL 靶标：N/A External Id：CHEMBL980738

实验名称：Inhibition of PTP1B 来源：ChEMBL 靶标：Tyrosine-protein phosphatase non-receptor type 1 External Id：CHEMBL905766

实验名称：Selectivity ratio of Ki for human type 1 3-alpha-HSD to Ki for human 20-alpha HSD 来源：ChEMBL 靶标：N/A External Id：CHEMBL968788

实验名称：Selectivity ratio of Ki for human type 2 3-alpha-HSD to Ki for human 20-alpha HSD 来源：ChEMBL 靶标：N/A External Id：CHEMBL968787

实验名称：Selectivity ratio of Ki for human AKR1C1 Leu308Val mutant to Ki for human wild type A... 来源：ChEMBL 靶标：N/A External Id：CHEMBL1285649

实验名称：Selectivity ratio of Ki for human AKR1C1 Leu308Ala mutant to Ki for human wild type A... 来源：ChEMBL 靶标：N/A External Id：CHEMBL1285650

实验名称：Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay 来源：ChEMBL 靶标：Aldo-keto reductase family 1 member C2 External Id：CHEMBL1285651

实验名称：Selectivity ratio of IC50 of human recombinant AKR1C3 to IC50 of human recombinant AK... 来源：ChEMBL 靶标：N/A External Id：CHEMBL2175573

实验名称：Selectivity ratio of Ki for human AKR1C2 to Ki for human AKR1C1 来源：ChEMBL 靶标：N/A External Id：CHEMBL1285652

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AKR1C1-IN-1英文别名

• 5-Brom-4-hydroxy-biphenyl-3-carbonsaeure
• 5-bromo-4-hydroxy-biphenyl-3-carboxylic acid
• 3-bromo-5-phenylsalicylic acid
• 3-Bromo-5-phenylsalicylc acid
• 5-Bromo-4-hydroxy-3-biphenylcarboxylic acid
• 3'-Bromo-4-hydroxy-3-biphenylcarboxylic acid
• [1,1'-biphenyl]-3-carboxylic acid,5-bromo-4-hydroxy