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MRS1191

Cat No.:V11456 Purity: ≥98%
MRS-1191 is a potent and specific A3 adenosine receptor blocker (antagonist) with a Kb of 92 nM, Ki for human A3 receptors of 31.4 nM, and IC50 for CHO cells.
MRS1191
MRS1191 Chemical Structure CAS No.: 185222-90-6
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
Other Sizes
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Product Description
MRS-1191 is a potent and specific A3 adenosine receptor blocker (antagonist) with a Kb of 92 nM, Ki for human A3 receptors of 31.4 nM, and IC50 for CHO cells. 120 nM. MRS-1191 is a reagent for click chemistry. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Based on receptor binding and functional experiments, the effects of MRS-1191 as a potential A3 adenosine receptor antagonist were evaluated. Cloning human brain A3 receptors with the agonist radioligand [125I]AB-MECA (N6-(4-amino-3-iodobenzyl)adenosyl-5'-N-methylurea) has been found to be a useful application of MRS-1191. expressed in saturation binding experiments in HEK-293 cells in a competitive manner. Functional experiments that involved agonist-induced inhibition of adenylyl cyclase and activation of [35S]guanosine 5'-O-(3-thiotriphosphate) ([35S]GTP-gamma-S) in combination with the corresponding G- showed that antagonism existed. protein. MRS-1191 was found to be extremely selective for adenylate cyclase mediated by the human A3 receptor over the human A1 receptor, with a KB value of 92 nM [1].
References
[1]. Jacobson KA, et al. Pharmacological characterization of novel A3 adenosine receptor-selective antagonists. Neuropharmacology. 1997 Sep;36(9):1157-65.
Additional Infomation
Furcelleran is a cinnamate ester.
See also: Furcelleran (annotation moved to).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C31H27NO4
Molecular Weight
477.55038
Exact Mass
477.194
CAS #
185222-90-6
PubChem CID
393594
Appearance
Typically exists as solid at room temperature
Density
1.2±0.1 g/cm3
Boiling Point
643.1±55.0 °C at 760 mmHg
Melting Point
155 - 156 ℃
Flash Point
342.7±31.5 °C
Vapour Pressure
0.0±1.9 mmHg at 25°C
Index of Refraction
1.639
LogP
7.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
9
Heavy Atom Count
36
Complexity
915
Defined Atom Stereocenter Count
0
SMILES
CCOC(=O)C1=C(C)NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
InChi Key
SNVFDPHQAOXWJZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3
Chemical Name
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
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

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~250 mg/mL (~523.51 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.36 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.0940 mL 10.4701 mL 20.9402 mL
5 mM 0.4188 mL 2.0940 mL 4.1880 mL
10 mM 0.2094 mL 1.0470 mL 2.0940 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.

Calculator

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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.
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Biological Data
  • Scatchard plot for the binding of [125I]AB-MECA in the absence or presence of A3-adenosine receptor antagonists (A, MRS 1067; B, MRS 1220; C, MRS 1191) in membranes prepared from HEK-293 cells stably expressing human brain A3 receptors. Membranes were incubated with radioligand at room temperature for 1 hr, in the absence (squares) or presence of low (triangles) or high concentration (•) A3-receptor antagonists. The concentrations of A3-receptor antagonists used and the calculated binding parameters (apparent KD in nM, n = 3) are as follows: MRS 1067, 0 μM (3.21 ± 0.67), 10 μM (4.21 ± 1.81), 25 μM (8.03 ± 3.36); MRS 1220, 0 nM (2.26 ± 0.71) 1 nM (4.47 ± 0.86), 3 nM (15.5 ± 3.3); MRS 1191, OnM (2.48 ± 0.04), 200 nM (4.31 ± 0.79), 500 nM (7.82 ± 0.89).[1].Jacobson KA, et al. Pharmacological characterization of novel A3 adenosine receptor-selective antagonists. Neuropharmacology. 1997 Sep;36(9):1157-65.
  • Functional assay of the effects of antagonists (A, MRS 1191; B, MRS 1220) on the agonist-elicited activation of G protein. Binding of [35S]GTP-γ-S in membranes prepared from HEK-293 cells stably expressing human brain A3 receptors is stimulated by increasing concentrations of the non-selective agonist NEC A (◯). A3-adenosine receptor antagonists alone at the indicated concentration (triangles) had no effect. The stimulation by NEC A at a single concentration (10 μM) was antagonized in the presence of A3-adenosine receptor antago-nists (●) at the indicated concentration. Membranes were incubated with radioligand at 30°C for 30 min.[1].Jacobson KA, et al. Pharmacological characterization of novel A3 adenosine receptor-selective antagonists. Neuropharmacology. 1997 Sep;36(9):1157-65.
  • Concentration-response curves for stimulation of binding of [35S]GTP-γ-S by Cl-IB-MECA in membranes prepared from HEK-293 cells stably expressing human brain A3 receptors. Effects of the agonist alone (◯) or in the presence of A3-adenosine receptor antagonists (diamonds, 30 μM MRS 1067; ●, 10 μM MRS 1097; squares, 100 nM MRS 1220; triangles, 3 μM MRS 1191) are shown. Membranes were incubated with radioligand at 30°C for 30 min.[1].Jacobson KA, et al. Pharmacological characterization of novel A3 adenosine receptor-selective antagonists. Neuropharmacology. 1997 Sep;36(9):1157-65.
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