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BAY-678
产品别名
675103-36-3
BAY-678
5-{(4R)-5-Acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}pyridine-2-carbonitrile
2-Pyridinecarbonitrile, 5-[(4R)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C20H15F3N4O2 |
| Molecular weight | 400.35 |
| MDL number | MFCD29924806 |
| PubChem Substance ID【PubChem化学物质编号】 | 329825966 |
| NACRES | NA.77 |
| Biochem/physiol Actions【生化/生理作用】 | BAY-678 is an orally available, highly potent and selective inhibitor of human neutrophil elastase (HNE). For full characterization details, please visit the BAY-678 probe summary on the Structural Genomics Consortium (SGC) website. BAY-677 is used as a negative control and is available from Sigma. To learn more about and purchase BAY-677, click here. To learn about other SGC chemical probes for protein targets, visit sigma.com/sgc |
| Features and Benefits【特点和优势】 | BAY-678 is a chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC chemical probes, visit sigma.com/SGC. |
产品性质
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | ≥98% (HPLC) |
| form【形式】 | powder |
| optical activity【旋光性】 | [α]/D +21 to +29°, c = 0.5 in methanol |
| color【颜色】 | white to light brown |
| solubility【溶解性】 | DMSO: 20 mg/mL, clear |
| storage temp.【储存温度】 | 2-8℃ |
| SMILES string | CC(N1C2=CC=CC(C(F)(F)F)=C2)=C(C(C)=O)[C@@H](C3=CN=C(C#N)C=C3)NC1=O |
| InChI | 1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1 |
| InChI key | PGIVGIFOWOVINL-GOSISDBHSA-N |
| packaging【包装】 | 5, 25 mg in glass bottle |
安全信息
| Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
| WGK | WGK 3 |
