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Purity: ≥98%
BAY-545 is a novel, potent and selective antagonist of A2B adenosine receptor with an IC50 of 59 nM. Additionally, BAY-545 shows a Ki of 97 nM for the human A2B adenosine receptor, which is more selective than the A1, A2A, and A3 adenosine receptors. The IC50s for the human, mouse, and rat A2B adenosine receptor in cells are 66, 400, and 280 nM, respectively. The four members of the adenosine receptor family are A1, A2A, A2B, and A3. The G protein-coupled A2B receptor is one of these receptors. While under the circumstances of an acute insult, adenosine-mediated A2B receptor signaling reduces acute inflammation, promotes tissue adaptation to hypoxia, and increases ischemia tolerance, persistently elevated adenosine levels and A2B receptor signaling are features of several chronic disease states.
Targets |
A2B adenosine receptor ( IC50 = 59 nM ); Human A2B adenosine receptor ( IC50 = 66 nM ); Mouse A2B adenosine receptor ( IC50 = 400 nM );
Rat A2B adenosine receptor ( IC50 = 280 nM ); Human A1 adenosine receptor ( IC50 = 1300 nM ); Human A2A adenosine receptor ( IC50 = 820 nM ); Mouse A2A adenosine receptor ( IC50 = 470 nM ); Rat A2A adenosine receptor ( IC50 = 750 nM ); A2B adenosine receptor ( Ki = 97 nM ) |
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ln Vitro |
BAY-545 exhibits selectivity towards the A2B adenosine receptor, as opposed to the A1, A2A, and A3 adenosine receptors. The IC50 values for the human A1 adenosine receptor, human A2A adenosine receptor, mouse A2A adenosine receptor, and rat A2A adenosine receptor are 1300 nM, 820 nM, and 750 nM, respectively.
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References |
Molecular Formula |
C18H22F3N3O4S
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Molecular Weight |
433.445193767548
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Exact Mass |
433.13
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Elemental Analysis |
C, 49.88; H, 5.12; F, 13.15; N, 9.69; O, 14.76; S, 7.40
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CAS # |
1699717-32-2
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Appearance |
Solid powder
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SMILES |
CCN1C(=O)C2=C(N(C1=O)CCC(F)(F)F)SC(=C2C)C(=O)N3CCC(CC3)O
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InChi Key |
NTYVAKNEYLJAPT-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
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Chemical Name |
3-ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
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Synonyms |
BAY-545; BAY 545; BAY545
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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: ~87 mg/mL (~200.7 mM)
Ethanol: ~87 mg/mL |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.77 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.77 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.3071 mL | 11.5354 mL | 23.0707 mL | |
5 mM | 0.4614 mL | 2.3071 mL | 4.6141 mL | |
10 mM | 0.2307 mL | 1.1535 mL | 2.3071 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.