SML1563

BAY-678

≥98% (HPLC)

• Synonym(s): 2-Pyridinecarbonitrile, 5-[(4R)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-, 5-{(4R)-5-Acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}pyridine-2-carbonitrile
• Empirical Formula (Hill Notation): C₂₀H₁₅F₃N₄O₂
• CAS Number: 675103-36-3
• Molecular Weight: 400.35
• MDL number: MFCD29924806
• UNSPSC Code: 41106514
• PubChem Substance ID: 329825966
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D +21 to +29°, c = 0.5 in methanol
• color: white to light brown
• solubility: DMSO: 20 mg/mL, clear
• storage temp.: 2-8°C
• 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

Description

Biochem/physiol Actions

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

BAY-678 is an orally available, highly potent and selective inhibitor of human neutrophil elastase.

Features and Benefits

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.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable