| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
BAY-677 does not have a defined pharmacological target, as it is an inactive control compound. It is structurally related to BAY-678, which targets human neutrophil elastase (HNE), a serine protease involved in inflammation and tissue remodeling. However, BAY-677 is designed to lack inhibitory activity against HNE and other kinases. Its use is to serve as a negative control in experiments.
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| ln Vitro |
BAY-677 does not exhibit significant in vitro biological activity, as it is an inactive control. It shows no activity against human neutrophil elastase (HNE) or other kinases. Its lack of activity is by design, allowing researchers to differentiate between the specific effects of BAY-678 and any non-specific effects that might be related to the compound scaffold.
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| ln Vivo |
BAY-677 is not a therapeutic agent and does not have in vivo pharmacological activity. It is not administered to animals for therapeutic purposes. Its in vivo effects are limited to its role as a negative control compound, and it is not expected to produce any pharmacological effects. It is not used in animal models for studying disease or therapeutic efficacy.
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| Enzyme Assay |
In vitro assays for BAY-677 are not typically performed, as it is an inactive control compound. However, when used as a negative control, it is included in the same assays as BAY-678 to demonstrate specificity. For example, in HNE enzyme inhibition assays, BAY-677 is tested alongside BAY-678 to show that any observed inhibition is due to BAY-678 and not the compound scaffold.
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| Cell Assay |
In vitro cell-based assays for BAY-677 are performed alongside BAY-678 as a negative control. Cells are treated with both BAY-677 and BAY-678 at various concentrations. The effects on cell viability, inflammatory cytokine production, or other endpoints are measured. Any effects observed with BAY-677 are considered non-specific, while effects observed only with BAY-678 are attributed to HNE inhibition.
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| Animal Protocol |
In vivo animal studies for BAY-677 are not typically conducted, as it is an inactive control compound. However, in studies where BAY-678 is evaluated for efficacy, BAY-677 may be used as a negative control to rule out non-specific effects. Animals are treated with both compounds, and any effects observed with BAY-677 are considered non-specific.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic properties of BAY-677, such as half-life and bioavailability, are not extensively characterized, as it is an inactive control compound. Its physicochemical properties are similar to BAY-678, including molecular weight (400.35 g/mol) and solubility in DMSO. It is stable as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
BAY-677 is an inactive control compound and is not expected to have significant toxicity. As a research compound, it is intended for laboratory use only and is not for human therapeutic use. Standard safety precautions should be followed when handling this compound. It is supplied with a purity of ≥98%.
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| References | |
| Additional Infomation |
BAY-677 is an inactive negative control for BAY-678. BAY-678 is an orally bioavailable, potent, and selective inhibitor of human neutrophil elastase (HNE) with an IC₅₀ of 20 nM, and it is nominated as a chemical probe by the Structural Genomics Consortium (SGC). BAY-677 is for research use only.
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| Molecular Formula |
C20H15F3N4O2
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|---|---|
| Molecular Weight |
400.353914499283
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| Exact Mass |
400.114
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| CAS # |
2117404-84-7
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| Related CAS # |
BAY-678;675103-36-3;BAY-678 racemate;675103-35-2
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| PubChem CID |
68944900
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
29
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| Complexity |
755
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=C([C@@H](NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CN=C(C=C3)C#N)C(=O)C
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| InChi Key |
PGIVGIFOWOVINL-SFHVURJKSA-N
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| InChi Code |
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
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| Chemical Name |
5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile
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| Synonyms |
BAY-677; BAY 677; BAY677
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ≥ 50 mg/mL (~124.89 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4978 mL | 12.4891 mL | 24.9781 mL | |
| 5 mM | 0.4996 mL | 2.4978 mL | 4.9956 mL | |
| 10 mM | 0.2498 mL | 1.2489 mL | 2.4978 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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