| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
adenosine A3 receptor[1]
Adenosine A3 receptor (A3AR) is a G protein-coupled receptor that plays important roles in inflammation, pain, and immune responses. MRS-3777 hemioxalate is a selective A3 receptor antagonist with a Ki of 47 nM. It displays >200-fold selectivity versus A1, A2A, and A2B receptors. By binding to the A3 receptor, MRS-3777 hemioxalate blocks the activation of the receptor by adenosine or other agonists, thereby inhibiting A3 receptor-mediated signaling pathways. |
|---|---|
| ln Vitro |
In vitro, MRS-3777 hemioxalate is a selective A3 receptor antagonist with a Ki of 47 nM. It reverses the anti-injury perception effects of A3 receptor agonists. The compound shows >200-fold selectivity over A1, A2A, and A2B receptors. In functional assays, MRS-3777 hemioxalate inhibits A3 receptor-mediated signaling, including cAMP inhibition and other downstream pathways.
|
| ln Vivo |
In vivo, MRS-3777 hemioxalate reverses the effects of A3 receptor agonists and serves as a tool for studying inflammatory pain. It may have potential applications in inflammatory diseases. By blocking A3 receptor activation, MRS-3777 hemioxalate can be used to dissect the role of the A3 receptor in various physiological and pathological processes, including inflammation, pain, and immune responses.
|
| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assay for MRS-3777 hemioxalate involves radioligand binding assays using membrane preparations from cells expressing human adenosine receptors. The binding affinity (Ki) and selectivity of MRS-3777 hemioxalate for A1, A2A, A2B, and A3 receptors are determined using competition binding assays with appropriate radioligands. The Ki values are calculated from competition curves using the Cheng-Prusoff equation.
|
| Cell Assay |
In vitro cellular assays for MRS-3777 hemioxalate use functional assays measuring cAMP accumulation in cells expressing adenosine receptors. The compound's ability to block agonist-induced cAMP inhibition is assessed. Cells expressing A3 receptors are treated with an A3 receptor agonist in the presence or absence of MRS-3777 hemioxalate, and cAMP levels are measured using ELISA or other detection methods. The antagonist activity of the compound is determined by its ability to reverse agonist-induced effects.
|
| Animal Protocol |
In vivo studies using animal models of inflammatory pain are performed to evaluate the pharmacological effects of MRS-3777 hemioxalate. The compound's ability to reverse agonist-mediated effects is assessed. Animal models of inflammatory pain, such as the formalin test or carrageenan-induced hyperalgesia, are used to evaluate the antinociceptive effects of A3 receptor agonists and their reversal by MRS-3777 hemioxalate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for MRS-3777 hemioxalate are limited. As a small molecule, it is expected to have properties suitable for in vivo research applications. The compound has a molecular weight of 708.77 g/mol and a molecular formula of C36H40N10O6. Further pharmacokinetic studies are needed to fully characterize the absorption, distribution, metabolism, and excretion (ADME) properties of MRS-3777 hemioxalate.
|
| Toxicity/Toxicokinetics |
Preclinical toxicology data for MRS-3777 hemioxalate are limited. The compound is used for research purposes only. No significant toxicities have been reported in the literature. Further toxicological evaluation is needed to assess the safety of MRS-3777 hemioxalate for potential therapeutic applications.
|
| References |
[1]. Nascimento FP, et al. Inosine reduces pain-related behavior in mice: involvement of adenosine A1 and A2A receptorsubtypes and protein kinase C pathways. J Pharmacol Exp Ther. 2010 Aug;334(2):590-8.
|
| Additional Infomation |
MRS-3777 hemioxalate (CAS: 1186195-57-2) is a research compound used to study adenosine A3 receptor biology and its role in inflammation and pain. The compound is a high affinity adenosine A3 receptor antagonist with a purity of ≥99%. MRS-3777 hemioxalate is not approved for human use and is intended for research purposes only. The compound is a valuable tool for investigating the physiological and pathological roles of the A3 adenosine receptor.
|
| Molecular Formula |
C17H19N5O.1/2C2H2O4
|
|---|---|
| Molecular Weight |
399.40
|
| Exact Mass |
708.313
|
| CAS # |
1186195-57-2
|
| PubChem CID |
56972200
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
14
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
52
|
| Complexity |
442
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C1C=CC=CC=1)C1=NC2=C(C(=N1)NC1CCCCC1)NC=N2.O(C1C=CC=CC=1)C1=NC2=C(C(=N1)NC1CCCCC1)NC=N2.OC(C(=O)O)=O
|
| InChi Key |
ICOKMZZMQHZKGX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/2C17H19N5O.C2H2O4/c2*1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13;3-1(4)2(5)6/h2*2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22);(H,3,4)(H,5,6)
|
| Chemical Name |
N-cyclohexyl-2-phenoxy-7H-purin-6-amine;oxalic acid
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (250.38 mM)
H2O: < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.26 mM) 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 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 (6.26 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (6.26 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 | 2.5038 mL | 12.5188 mL | 25.0376 mL | |
| 5 mM | 0.5008 mL | 2.5038 mL | 5.0075 mL | |
| 10 mM | 0.2504 mL | 1.2519 mL | 2.5038 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
