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MTPPA

Cat No.:V29546 Purity: ≥98%
MTPPA is a compound with anti~inflammatory and pain effects.
MTPPA
MTPPA Chemical Structure CAS No.: 70991-61-6
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
100mg
Other Sizes
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Product Description
MTPPA is a compound with anti~inflammatory and pain effects.
MTPPA (CAS 70991-61-6), also known as M 5011, is a compound with anti-inflammatory and pain-relieving effects. With a molecular formula of C₁₄H₁₄O₂S and a molecular weight of 246.32 g/mol, this compound is a drug for treating symptoms of inflammation and pain. MTPPA is used in research to study inflammation and pain pathways. The compound appears as a solid and should be stored under appropriate conditions. It is soluble in DMSO and other organic solvents. Its purity is typically >98% by HPLC.
Biological Activity I Assay Protocols (From Reference)
Targets
MTPPA targets inflammatory and pain pathways. Its mechanism of action is not fully detailed in the available literature, but as a compound with anti-inflammatory and pain-relieving effects, it likely modulates inflammatory mediators and pain signaling pathways. It may inhibit the production of pro-inflammatory cytokines or interact with pain receptors. Its exact molecular targets require further investigation.
ln Vitro
In vitro, MTPPA has been shown to have anti-inflammatory and pain-relieving effects. Its activity is typically assessed in cell-based assays using immune cells stimulated with inflammatory stimuli, where the production of inflammatory cytokines is measured. Its effects on pain pathways can be studied in neuronal cell cultures. However, detailed in vitro potency data are not extensively documented.
ln Vivo
In vivo, MTPPA is used in research to study inflammation and pain. Its anti-inflammatory and pain-relieving effects suggest potential therapeutic applications, though specific in vivo efficacy data are not detailed in the available literature. The compound is not approved for clinical use.
Enzyme Assay
In vitro non-cell enzyme assays for MTPPA are not standard, as its mechanism is not fully elucidated. Its anti-inflammatory activity could be assessed by measuring the inhibition of COX or LOX enzymes using cell-free enzyme assays. Its binding to pain receptors could be assessed using radioligand binding studies.
Cell Assay
In vitro cell-based assays for MTPPA use immune cells, such as macrophages, stimulated with LPS to induce inflammation. Cells are treated with varying concentrations of the compound, and the production of inflammatory cytokines (TNF-α, IL-6, IL-1β) is measured by ELISA. Its effects on pain pathways can be studied in neuronal cell lines by measuring calcium influx or neurotransmitter release.
Animal Protocol
In vivo animal studies for MTPPA would likely employ models of inflammation and pain, such as carrageenan-induced paw edema or the formalin test. The compound would be administered, and parameters such as paw swelling, pain response, and inflammatory cytokine levels would be assessed. Pharmacokinetic studies in these models would provide information about the compound's absorption, distribution, metabolism, and excretion.
ADME/Pharmacokinetics
Metabolism / Metabolites
Known metabolites of S-2-[4-(3-methyl-2-thienyl)phenyl]propionic acid include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[4-(3-methylthien-2-yl)phenyl]propionyloxy]oxacyclohexane-2-carboxylic acid and 2-[2-[4-(3-methylthien-2-yl)phenyl]propionyloxyamino]ethanesulfonic acid.
MTPPA has a molecular weight of 246.32 g/mol and a molecular formula of C₁₄H₁₄O₂S. It is also known as M 5011. The compound should be stored under appropriate conditions, typically at -20°C, protected from light and moisture. Its purity is typically >98% by HPLC. Detailed pharmacokinetic parameters such as half-life, volume of distribution, and clearance have not been extensively characterized.
Toxicity/Toxicokinetics
The toxicity profile of MTPPA has not been comprehensively evaluated in published studies. As a research compound, it is not intended for human therapeutic use without further safety evaluation. Standard laboratory safety precautions should be followed when handling the compound.
References

[1]. Novel 2-[4-(3-methyl-2-thienyl)phenyl]propionic acid and pharmaceutically acceptable salt thereof and method for treating symptoms of inflammation and pain. US4230719, 1980, A1.

Additional Infomation
MTPPA is a compound with anti-inflammatory and pain-relieving effects. It is also known as M 5011. Not approved for clinical use; intended for research purposes only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C14H14O2S
Molecular Weight
246.324762821198
Exact Mass
246.071
CAS #
70991-61-6
PubChem CID
12769847
Appearance
Typically exists as solid at room temperature
Density
1.2±0.1 g/cm3
Boiling Point
379.5±30.0 °C at 760 mmHg
Flash Point
183.3±24.6 °C
Vapour Pressure
0.0±0.9 mmHg at 25°C
Index of Refraction
1.596
LogP
3.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Heavy Atom Count
17
Complexity
271
Defined Atom Stereocenter Count
0
SMILES
O=C(O)C(C)C1=CC=C(C2=C(C)C=CS2)C=C1
InChi Key
DTOPKPBTCXKNFF-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H14O2S/c1-9-7-8-17-13(9)12-5-3-11(4-6-12)10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
Chemical Name
2-[4-(3-methylthiophen-2-yl)phenyl]propanoic 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

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)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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 : PEG300Tween 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 : PEG300Tween 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 4.0598 mL 20.2988 mL 40.5976 mL
5 mM 0.8120 mL 4.0598 mL 8.1195 mL
10 mM 0.4060 mL 2.0299 mL 4.0598 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
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
  • Click the “Calculate” button
  • 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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