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| 5mg |
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| 25mg |
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Purity: ≥98%
Capadenoson (formerly also known as BAY 68-4986) is a novel, orally bioactive, potent and selective adenosine A1 receptor agonist. Adenosine serves as the endogenous ligand for the adenosine A₁ receptor, which is one of the G protein-coupled receptors in the adenosine receptor group. Stimulation of the adenosine A1 receptor (A1AR) is a potent defense against cerebral and cardiac ischemia-reperfusion injury.
| Targets |
Adenosine A1 receptor
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|---|---|
| ln Vitro |
The standard full A1-agonist CCPA and the A1-antagonist 8-cyclopentyl-1,3-dipropylxanthine (DPCPX) are used in GTP shift assays to help clarify the pharmacological characteristics of capadenson. The binding assay on rat cortical brain membranes yields a Ki value of 4.2 nM for CCPA. This Ki value changes to 64 nM when 1 mM GTP is present. In light of this, the CCPA's GTP shift is 15. The GTP shift of DPCPX is 1, and its Ki values are almost the same when GTP is present as well. According to the binding assay, Capadenson has a Ki value of 24 nM. Capadenoson's GTP shifts by 5 when 1 mM GTP is present, as indicated by the Ki value shifting to 116 nM.
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| ln Vivo |
In the in vivo trials, capadenoson is pretreated for five days at a dose of 0.15 mg/kg on Wistar rats and SHR. Day 5 involves a two-hour stress test (physical restraint). Four and five days before the restraint stress test, the average plasma concentration of Capadenoson, measured three hours after drug intake, was 7.63 µg/L on day four and day five, respectively[1].
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| Enzyme Assay |
The human cortex is ready to produce membranes. We measure [35S]GTPηS binding. In short, a 160 µL total volume and 2 hours at 25°C in a shaKing water bath are used to incubate 5 µg of membrane protein. A linear time course was observed for [35S]GTPγS binding up to this incubation time, both in control and capadenoson-containing incubations. pH 7.4, 50 mM Tris/HCl, 2 mM triethanolamine, 1 mM EDTA, 5 mM MgCl2, 10 µM GDP, 1 mM dithiothreitol, 100 mM NaCl, 0.2 units/mL adenosine deaminase, 0.2 nM [35S]GTPγS, and 0.5% bovine serum albumin were all present in the binding buffer. In the presence of 10 µM GTPγS, non-specific binding is identified. After filtration of the samples through multiscreen FB glass fiber filters and two binding buffer washes, the incubations are ended. After drying and applying a scintillator coating, the radioactivity of the filters is measured. Using GraphPad Prism, nonlinear regression is used to analyze the binding curves of [35S]GTPηS[1].
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| Animal Protocol |
Rats: In total, 18 SHR (body weight 200–50 g, all female) and 14 Wistar rats participated in the experiments to assess the exocytotic, stimulation-induced NE release during electrical field stimulation. Rats are given an intraperitoneal injection of pentobarbital (0.5 mL/100 mg body weight) to Kill them. Their hearts are then quickly removed and placed in a cold Krebs-Henseleit solution (KHL). They are immediately put on a Langendorff device for KHL retrograde perfusion. By using 5% CO2/95% O2, the temperature is brought down to 37°C, the pH is brought up to 7.4, and the perfusion rate is maintained at 10 mL/min. Desipramine is added to the perfusion buffer at a concentration of 10−7 M via an inflow line. Following a 20-minute equilibration period, two metal paddles placed next to the beating heart are used to apply an electrical field for one minute (5V, 6 Hz). One minute prior to, during, and three minutes following the stimulation, we collected the efflux in plastic tubes. They are kept at -20°C until analysis and quickly frozen in liquid nitrogen. The cumulative release brought on by the electrical stimulation is used to compute the NE release. The study drug Capadenoson is added via separate perfusion lines for 30 minutes after the first stimulation (S1) at concentrations of 30 µg/L (6×10−8 M), 300 µg/L (6×10−7 M), or 2-chloro-N6-cyclopentyladenosine (CCPA, 10−6 M). To find out how the medications affect NE release in comparison to the first stimulation, a second stimulation (S2) is carried out after this point. By determining the ratio of NE release brought on by the first and second stimuli (S2/S1 ratio), the impact of each pharmaceutical intervention is examined.
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| References |
| Molecular Formula |
C25H18CLN5O2S2
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|---|---|
| Molecular Weight |
520.0257
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| Exact Mass |
519.06
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| Elemental Analysis |
C, 57.74; H, 3.49; Cl, 6.82; N, 13.47; O, 6.15; S, 12.33
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| CAS # |
544417-40-5
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| Appearance |
Solid powder
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| SMILES |
C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO
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| InChi Key |
CITWCLNVRIKQAF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)
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| Chemical Name |
2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
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| Synonyms |
BAY 68-4986; BAY-68-4986; BAY68-4986
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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 (~96.1 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.81 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), suspension solution; with heating and sonication.
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 (4.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. View More
Solubility in Formulation 3: 5%DMSO + 40%PEG300 + 5%Tween 80 + 50%ddH2O: 2.5mg/ml (4.81mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9230 mL | 9.6148 mL | 19.2297 mL | |
| 5 mM | 0.3846 mL | 1.9230 mL | 3.8459 mL | |
| 10 mM | 0.1923 mL | 0.9615 mL | 1.9230 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00568945 | Completed | Drug: Capadenoson (BAY68-4986) |
Atrial Fibrillation | Bayer | January 2008 | Phase 2 |
| NCT00518921 | Withdrawn | Drug: Capadenoson (BAY 68-4986) Drug: Placebo |
Chronic Stable Angina | Bayer | March 2008 | Phase 2 |
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