5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile manufacturers
- BAY-677
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- $82.00
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2026-04-22
- CAS:2117404-84-7
- Purity:
- Supply Ability: 10g
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| | 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile Basic information |
| Product Name: | 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile | | Synonyms: | 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile;2-Pyridinecarbonitrile, 5-[(4S)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]- | | CAS: | 2117404-84-7 | | MF: | C20H15F3N4O2 | | MW: | 400.35 | | EINECS: | | | Product Categories: | | | Mol File: | 2117404-84-7.mol | ![5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile Structure](CAS/20200401/GIF/2117404-84-7.gif) |
| | 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile Chemical Properties |
| Boiling point | 623.9±55.0 °C(Predicted) | | density | 1.42±0.1 g/cm3(Predicted) | | storage temp. | Store at -20°C | | solubility | DMSO:45.02(Max Conc. mg/mL);112.45(Max Conc. mM) | | pka | 9.35±0.70(Predicted) | | form | Solid | | color | Light yellow to yellow | | Optical Rotation | [α]/D -21 to -29°, c =0.5 in methanol | | 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 | | InChIKey | PGIVGIFOWOVINL-SFHVURJKSA-N | | SMILES | CC(N1C2=CC=CC(C(F)(F)F)=C2)=C(C(C)=O)[C@H](C3=CN=C(C#N)C=C3)NC1=O |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids |
| | 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile Usage And Synthesis |
| Uses | BAY-677 is an inactive control for BAY-678. BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM[1]. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC)[2]. | | Biological Activity | 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 | | storage | Store at -20°C | | References | [1] von Nussbaum F, et al. Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem. 2015 Jul;10(7):1163-73.. DOI:10.1002/cmdc.201500131
[2] von Nussbaum F, et al. Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4370-81. DOI:10.1016/j.bmcl.2015.08.049 |
| | 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile Preparation Products And Raw materials |
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