((3R,4S)-4-((4-FLUOROBENZOYL)AMINO)-6-(4-(OXETAN-3-YL)PIPERAZIN-1-YL)CHROMAN-3-YL)N-METHYLCARBAMATE
中文名称 | ((3R,4S)-4-((4-FLUOROBENZOYL)AMINO)-6-(4-(OXETAN-3-YL)PIPERAZIN-1-YL)CHROMAN-3-YL)N-METHYLCARBAMATE |
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中文同义词 | N-[(3R,4S)-3,4-二氢-3-[[(甲基氨基)羰基]氧基]-6-[4-(3-氧杂环丁基)-1-哌嗪基]-2H-1-苯并吡喃-4-基]-4-氟-苯甲酰胺;LY3000328游离态;化合物LY 3000328 |
英文名称 | Z-FL-COCHO |
英文同义词 | Z-FL-COCHO;((3R,4S)-4-((4-FLUOROBENZOYL)AMINO)-6-(4-(OXETAN-3-YL)PIPERAZIN-1-YL)CHROMAN-3-YL)N-METHYLCARBAMATE;CATHEPSIN S INHIBITOR;N-[(3R,4S)-3,4-Dihydro-3-[[(methylamino)carbonyl]oxy]-6-[4-(3-oxetanyl)-1-piperazinyl]-2H-1-benzopyran-4-yl]-4-fluorobenzamide;LY 3000328;Benzamide, N-[(3R,4S)-3,4-dihydro-3-[[(methylamino)carbonyl]oxy]-6-[4-(3-oxetanyl)-1-piperazinyl]-2H-1-benzopyran-4-yl]-4-fluoro-;(3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate;CATHEPSIN S INHIBITOR ;LY-3000328;LY3000328 |
CAS号 | 1373215-15-6 |
分子式 | C25H29FN4O5 |
分子量 | 484.52 |
EINECS号 | |
相关类别 | 抑制剂 |
Mol文件 | Mol File |
结构式 |
((3R,4S)-4-((4-FLUOROBENZOYL)AMINO)-6-(4-(OXETAN-3-YL)PIPERAZIN-1-YL)CHROMAN-3-YL)N-METHYLCARBAMATE 性质
沸点 | 701.6±60.0 °C(Predicted) |
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密度 | 1.38±0.1 g/cm3(Predicted) |
储存条件 | Store at -20°C |
溶解度 | DMSO 中≥24.25 mg/mL;不溶于水;不溶于乙醇 |
形态 | 粉末 |
酸度系数(pKa) | 12.50±0.46(Predicted) |
((3R,4S)-4-((4-FLUOROBENZOYL)AMINO)-6-(4-(OXETAN-3-YL)PIPERAZIN-1-YL)CHROMAN-3-YL)N-METHYLCARBAMATE 用途与合成方法
IC50: 7.7±5.85 nM (hCat S), 1.67±1.17 (mCat S)
LY3000328 maintains excellent in vitro potency and selectivity. LY3000328 shows low in vitro CYP450 inhibition (<15% at 10 μM for CYP3A4, CYP2D6, and CYP2C9); low in vitro metabolism in mouse, rat, dog, and human liver microsomes (<20% after 30 min incubation at 4 μM); and good permeability (MDCK A-B>4%). At a 100 μM concentration of LY3000328 there is only 6% displacement of [ 3 H]-astemizole in an assay with HEK293 membrane preparation, indicating low potential of hERG blockade. LY3000328 is a potent and specific inhibitor of cathepsin S (CatS). Inhibition of CatS activity in plasma would be 50% of maximal when LY3000328 plasma concentration is approximately 60 ng/mL.
The efficacies of LY3000328 is studied in a mouse model of abdominal aortic aneurysm (AAA). In this model, inflammation is induced using CaCl 2 applied to the ablumenal surface. It is shown that features of the disease state in this model resemble those of human AAA. LY3000328 exhibits a dose-responsive aortic diameter reduction at 1, 3, 10, and 30 mg/kg. At the lowest dose of 1 mg/kg of LY3000328, the aortic diameter is reduced by 58%, then 83% at 3 mg/kg, and 87% at 10 mg/kg. The exposure (AUC) for both compounds increased in a dose-dependent manner, suggesting that the drug disposition properties of LY3000328 are favorable.
安全信息
海关编码 | 2934999090 |
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更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
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2024/04/30 | HY-15533 | LY 3000328 | 1 mg | 1043元 | |
2024/04/30 | HY-15533 | ((3R,4S)-4-((4-FLUOROBENZOYL)AMINO)-6-(4-(OXETAN-3-YL)PIPERAZIN-1-YL)CHROMAN-3-YL)N-METHYLCARBAMATE LY 3000328 | 1373215-15-6 | 2mg | 1413元 |