Benzonitrile, 2-[6-[(1E)-2-[(3R,3aS,4R,5S,7aS)-7a-amino-6,6-difluorooctahydro-3,5-dimethyl-1-oxo-4-isobenzofuranyl]ethenyl]-3-pyridinyl]

• 常用名: Benzonitrile, 2-[6-[(1E)-2-[(3R,3aS,4R,5S,7aS)-7a-amino-6,6-difluorooctahydro-3,5-dimethyl-1-oxo-4-isobenzofuranyl]ethenyl]-3-pyridinyl]
• 英文名: Benzonitrile, 2-[6-[(1E)-2-[(3R,3aS,4R,5S,7aS)-7a-amino-6,6-difluorooctahydro-3,5-dimethyl-1-oxo-4-isobenzofuranyl]ethenyl]-3-pyridinyl]
• CAS号: 1454588-34-1
• 分子量: 423.46
• 密度: 1.31±0.1 g/cm3(Predicted)
• 沸点: 619.1±55.0 °C(Predicted)
• 分子式: C₂₄H₂₃F₂N₃O₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: Benzonitrile, 2-[6-[(1E)-2-[(3R,3aS,4R,5S,7aS)-7a-amino-6,6-difluorooctahydro-3,5-dimethyl-1-oxo-4-isobenzofuranyl]ethenyl]-3-pyridinyl]

物理化学性质

• 密度: 1.31±0.1 g/cm3(Predicted)
• 沸点: 619.1±55.0 °C(Predicted)
• 分子式: C₂₄H₂₃F₂N₃O₂
• 分子量: 423.46

靶点实验

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实验名称：Volume of distribution in dog at 0.3 mg/kg, iv 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046090

实验名称：Effect on human P-glycoprotein expressed in MDCK cells assessed as efflux ratio of ap... 来源：ChEMBL 靶标：ATP-dependent translocase ABCB1 External Id：CHEMBL5046089

实验名称：Dose normalized AUC in Sprague-Dawley rat at 50 mg/kg, po 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046152

实验名称：Dose normalized AUC in Sprague-Dawley rat at 30 mg/kg, po 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046151

实验名称：Inhibition of [35S]MK-499 binding to hERG expressed in HEK293 cells 来源：ChEMBL 靶标：Potassium voltage-gated channel subfamily H member 2 External Id：CHEMBL5046094

实验名称：Antagonist activity at human PAR-1 expressed in HEK293 cells assessed as reduction in... 来源：ChEMBL 靶标：Proteinase-activated receptor 1 External Id：CHEMBL5046093

实验名称：Toxicity in rat assessed as non-toxic AUC for liver bioactivation at 30 mg/kg 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046156

实验名称：Toxicity in rat assessed as non-toxic AUC for tissue toxicity at 30 mg/kg 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046155

实验名称：AUC in Sprague-Dawley rat at 50 mg/kg, po 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046146

实验名称：AUC in Sprague-Dawley rat at 30 mg/kg, po 来源：ChEMBL 靶标：N/A External Id：CHEMBL5046145

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