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SML1564 Sigma-Aldrich

BAY-677

≥98% (HPLC)

Synonym: (S)-BAY-678, 2-Pyridinecarbonitrile, 5-[(4S)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-, 5-{(4S)-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

  • Molecular Weight 400.35

  •  PubChem Substance ID 329825967

  •  NACRES NA.77

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Properties

Related Categories B, Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience,
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-/m0/s1
InChI key   PGIVGIFOWOVINL-SFHVURJKSA-N

Description

Packaging

5, 25 mg in glass bottle

Biochem/physiol Actions

BAY-677 is the negative control probe for BAY-678, which is a human neutrophil elastase (HNE) inhibitor with >2,000-fold selectivity for HNE over a panel of 21 other serine proteases. For characterization details of BAY-678 and BAY-677, please visit the BAY-677 probe summary on the Structural Genomics Consortium (SGC) website.

BAY-678, the active HNE probe, is available from Sigma. To learn more about and purchase BAY-678, click here.

To learn about other SGC chemical probes for protein targets, visit sigma.com/sgc

Features and Benefits

BAY-677 is a chemical probe available through a partnership between Sigma Life Science and the Structural Genomics Consortium (SGC). To learn more and view other SGC chemical probes, visit sigma.com/SGC.

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
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