BI‑3231

• 常用名: BI‑3231
• 英文名: BI‑3231
• CAS号: 2894848-07-6
• 分子量: 380.37
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₆H₁₄F₂N₄O₃S
• 熔点: N/A
• 闪点: N/A

BI‑3231用途

BI 3231是一种有效的选择性羟基类固醇17ß-脱氢酶13(HSD17B13)抑制剂,hHSD17B23和mHSD17B3的IC50分别为1和13nM。BI 3231具有研究非酒精性脂肪性肝炎(NASH)和其他肝病的潜力[1]。

BI‑3231名称

• 英文名: BI‑3231

BI‑3231生物活性

• 描述: BI 3231是一种有效的选择性羟基类固醇17ß-脱氢酶13(HSD17B13)抑制剂,hHSD17B23和mHSD17B3的IC50分别为1和13nM。BI 3231具有研究非酒精性脂肪性肝炎(NASH)和其他肝病的潜力[1]。
• 相关类别:
  研究领域 >> 代谢疾病
• 靶点实验:

  hydroxysteroid 17ß-dehydrogenase 13 (HSD17B13)[1]

• 体外研究: 双3231在肝微粒体中表现出高代谢稳定性,在肝细胞中表现出中等代谢稳定性[1]。
• 体内研究: 双3231从血浆中迅速清除,但在 48小时内仍保持相当大的肝脏暴露[1]。
• 参考文献:

  [1]. Thamm S, et, al. Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science. J Med Chem. 2023 Feb 2.

BI‑3231物理化学性质

• 分子式: C₁₆H₁₄F₂N₄O₃S
• 分子量: 380.37
• InChIKey: XKDHFIPNTTUSIA-UHFFFAOYSA-N
• SMILES: CCn1c(=O)c(C)cn(Cc2nnc(-c3ccc(F)c(O)c3F)s2)c1=O

BI‑3231靶点实验

查看更多实验

实验名称：Tight binding inhibition of recombinant mouse full-length C-terminal His-tagged HSD17... 来源：ChEMBL 靶标：17-beta-hydroxysteroid dehydrogenase 13 External Id：CHEMBL5381668

实验名称：Glutathione reactivity in human liver microsome assessed as GSH adduct formation 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381666

实验名称：Tight binding inhibition of recombinant human full-length C-terminal His-tagged HSD17... 来源：ChEMBL 靶标：17-beta-hydroxysteroid dehydrogenase 13 External Id：CHEMBL5381667

实验名称：Protein binding in human plasma assessed as bound fraction at 1 uM incubated for 2 hr... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381664

实验名称：Protein binding in mouse plasma assessed as bound fraction at 1 uM incubated for 2 hr... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381665

实验名称：Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as subs... 来源：ChEMBL 靶标：Cytochrome P450 3A4 External Id：CHEMBL5381663

实验名称：Efflux ratio of permeability in human Caco-2 cells at 10 uM by LC-MS/MS analysis 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381654

实验名称：Metabolic stability in mouse hepatocytes assessed as blood flow by LC-MS/MS analysis 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381652

实验名称：Permeability of the compound across apical to basolateral side in human Caco-2 cells ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381653

实验名称：Metabolic stability in mouse hepatocytes assessed as assessed as clearance at 1 uM in... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5381650

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