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2MeSATP

Alias: 2MeSATP 2-MeS-ATP tetrasodium salt 2-MeS ATP 4Na salt2-MeS-ATP tetrasodium salt2 MeS ATP tetrasodium salt
Cat No.:V9418 Purity: ≥98%
2-Methylthio-ATP tetrasodium is a nonspecific P2-receptor agonist (activator).
2MeSATP
2MeSATP Chemical Structure CAS No.: 100020-57-3
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
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Product Description
2-Methylthio-ATP tetrasodium is a nonspecific P2-receptor agonist (activator). 2-Methylthio-ATP tetrasodium causes noncompetitive inhibition of ADP-induced human platelet aggregation.
2MeSATP (CAS 100020-57-3), also known as 2-methylthio-ATP, is a potent and stable ATP analog with a methylthio substitution at the 2-position of the adenine base. With molecular formula C11H16N5O12P3S and molecular weight 535.25, this compound is a P2X and P2Y purinergic receptor agonist. It is more potent than ATP at many P2 receptors and is resistant to degradation by ectonucleotidases, making it a valuable tool for studying purinergic signaling pathways.
Biological Activity I Assay Protocols (From Reference)
Targets
2MeSATP targets P2X and P2Y purinergic receptors. It acts as a potent agonist at P2X1, P2X3, and P2X7 receptors, as well as P2Y1 and P2Y11 receptors. The methylthio substitution at the 2-position enhances receptor potency and stability compared to ATP. P2X receptors are ligand-gated ion channels, while P2Y receptors are G-protein coupled receptors. Activation of these receptors mediates various physiological processes including neurotransmission, platelet aggregation, inflammation, and pain signaling.
ln Vitro
In vitro, 2MeSATP acts as a potent P2X and P2Y receptor agonist. It is more potent than ATP at many P2 receptors and is resistant to degradation by ectonucleotidases. The compound induces calcium mobilization in cells expressing P2Y receptors and evokes inward currents in cells expressing P2X receptors. No specific EC50 values are provided in the available literature. It is used as a research tool for studying purinergic signaling in various cell types including neurons, immune cells, and vascular cells.
ln Vivo
No specific in vivo activity data for 2MeSATP are available in the published literature. As a P2 receptor agonist, it would be expected to modulate purinergic signaling in vivo, affecting neurotransmission, inflammation, and vascular tone, but no animal model studies, pharmacokinetic data, therapeutic efficacy results, or toxicity profiles have been reported. The compound is primarily used as an in vitro research tool.
Enzyme Assay
Cell-free assays for 2MeSATP typically involve studying its interaction with P2X and P2Y receptors. Standard protocols include radioligand binding assays using membrane preparations from cells expressing P2 receptors with [³⁵S]ATPγS or [³H]-labeled ligands and competing 2MeSATP at concentrations of 0.01-1000 nM. Incubation is performed in assay buffer at 25°C for 60-120 minutes. Bound and free radioligand are separated by filtration and counted by scintillation. Ki values are calculated from competition curves.
Cell Assay
In vitro cell-based assays for 2MeSATP typically involve cells expressing P2X or P2Y receptors. For P2Y receptors, cells are treated with the compound at concentrations of 0.001-100 μM for 15-30 minutes. Receptor activation is measured by calcium mobilization using fluorescent indicators (e.g., Fluo-4) or by inhibition or stimulation of cAMP accumulation. For P2X receptors, electrophysiological recordings (patch-clamp) are used to measure inward currents. EC50 values are calculated from concentration-response curves. Cytotoxicity is assessed by MTT or LDH assay.
Animal Protocol
No published in vivo animal experimental protocols are available for 2MeSATP. For related P2 receptor agonists, standard protocols involve administration to rodent models via intravenous, intrathecal, or intraperitoneal routes at doses of 0.01-10 mg/kg, with assessment of effects on pain sensitivity (tail-flick, formalin test), inflammation (carrageenan-induced paw edema), or platelet function. Pharmacokinetic parameters are determined from serial blood samples analyzed by LC-MS/MS.
References

[1]. Specific but noncompetitive inhibition by 2-alkylthio analogues of adenosine 5'-monophosphate and adenosine 5'-triphosphate of human platelet aggregation induced by adenosine 5'-diphosphate. Br J Pharmacol. 1982 Feb; 75(2): 397–400.

[2]. The effects of inflammation and inflammatory mediators on nociceptive behaviour induced by ATP analogues in the rat. Br J Pharmacol. 1999 Jan;126(1):326-32.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C11H14N5NA4O13<
Molecular Weight
641.19992685318
Exact Mass
640.911
CAS #
100020-57-3
PubChem CID
16218831
Appearance
White to off-white solid powder
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
18
Rotatable Bond Count
8
Heavy Atom Count
37
Complexity
825
Defined Atom Stereocenter Count
4
SMILES
CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
InChi Key
UEEFBRHXFDJPTA-KWIZKVQNSA-J
InChi Code
InChI=1S/C11H18N5O13P3S.4Na/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
Chemical Name
2-(Methylthio)adenosine 5'-triphosphate tetrasodium salt
Synonyms
2MeSATP 2-MeS-ATP tetrasodium salt 2-MeS ATP 4Na salt2-MeS-ATP tetrasodium salt2 MeS ATP tetrasodium salt
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 Data
Solubility (In Vitro)
H2O: ~50 mg/mL (~78.0 mM; with ultrasonication)
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)
*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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300:Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.5596 mL 7.7979 mL 15.5958 mL
5 mM 0.3119 mL 1.5596 mL 3.1192 mL
10 mM 0.1560 mL 0.7798 mL 1.5596 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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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
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  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.
             (2) Be sure to add the solvent(s) in order.

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