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Phenylethanolamine A-d3

Cat No.:V71349 Purity: ≥98%
Phenylethanolamine A-d3 is a deuterated form of Phenylethanolamine A.
Phenylethanolamine A-d3
Phenylethanolamine A-d3 Chemical Structure CAS No.: 2507994-61-6
Product category: Adrenergic Receptor
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

Other Forms of Phenylethanolamine A-d3:

  • Phenylethanolamine A
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Phenylethanolamine A-d3 is a deuterated form of Phenylethanolamine A. Phenylethanolamine A is a beta-adrenergic agonist. It is a by-product during the synthesis of Ractopamine.
Phenylethanolamine A-d3 is a stable, deuterium-labeled internal standard for the accurate quantification of the beta-adrenergic agonist phenylethanolamine A by LC-MS or GC-MS. The incorporation of three deuterium atoms provides a mass shift of +3 Da from the unlabeled compound, enabling precise correction for matrix effects, extraction recovery, and ion suppression in complex biological samples.
Biological Activity I Assay Protocols (From Reference)
Targets
β adrenergic receptor
Not applicable for the deuterated internal standard. Unlabeled phenylethanolamine A is a beta-adrenergic receptor agonist that acts as a byproduct during the synthesis of ractopamine. It has been illegally used as a growth promoter in livestock in some countries. As a beta-agonist, it binds to and activates beta-adrenergic receptors, leading to increased muscle mass and decreased fat deposition in animals.
ln Vitro
Phenylethanolamine A-d3 is not used for measuring intrinsic biological activity; its role is analytical. Unlabeled phenylethanolamine A acts as a beta-adrenergic receptor agonist, with pharmacological properties similar to other beta-agonists such as clenbuterol and ractopamine. It binds to beta1 and beta2 adrenergic receptors, activating downstream signaling pathways that promote protein synthesis and lipolysis.
ln Vivo
Phenylethanolamine A-d3 itself is not used for in vivo activity studies. Unlabeled phenylethanolamine A, when administered to livestock (typically via feed), promotes lean muscle growth and reduces fat deposition, similar to other beta-agonists used in animal agriculture. However, its use is illegal in many countries due to concerns about residues in animal-derived food products and potential adverse effects in consumers.
Enzyme Assay
Phenylethanolamine A-d3 is not used in non-cellular binding assays as a test compound. For binding studies of unlabeled phenylethanolamine A, a standard beta-adrenergic receptor binding assay is used. Membrane preparations from cells expressing human beta1 or beta2 adrenergic receptors are incubated with a radioligand (e.g., [3H]CGP-12177) and varying concentrations of the unlabeled compound. After incubation, bound and free radioligand are separated by filtration, and radioactivity is counted to determine binding affinity (Ki).
Cell Assay
No standard cell-based protocol is applicable for the deuterated standard. For functional characterization of unlabeled phenylethanolamine A, CHO cells expressing human beta2-adrenergic receptors are used. Cells are treated with varying concentrations of the compound, and intracellular cAMP levels are measured by HTRF or ELISA. An increase in cAMP indicates successful activation of the beta-adrenergic receptor/Gs signaling pathway.
Animal Protocol
Phenylethanolamine A-d3 is used as an internal standard in residue analysis rather than as a test compound in animal efficacy studies. A typical protocol for residue monitoring involves extracting phenylethanolamine A from animal tissues (e.g., liver, muscle) or feed using a QuEChERS method. The deuterated internal standard is added at the beginning of the extraction process to correct for recovery losses. Extracts are analyzed by LC-MS/MS for quantification.
ADME/Pharmacokinetics
Phenylethanolamine A-d3 is chemically identical to the unlabeled analyte except for a +3 Da mass shift due to three deuterium atoms, resulting in virtually identical extraction recovery, chromatographic retention time, and ionization efficiency. It is stable under standard LC-MS conditions. Unlabeled phenylethanolamine A has a molecular weight of 344.4 g/mol and has been detected in animal-derived food products.
Toxicity/Toxicokinetics
No direct toxicological data is provided for the deuterated standard, as it is used at trace analytical levels. Unlabeled phenylethanolamine A, as a beta-adrenergic agonist, can cause tachycardia, tremors, nervousness, and metabolic disturbances in exposed animals or humans. The presence of illegal residues in animal-derived foods is a public health concern, and regulatory authorities have established maximum residue limits (MRLs) for beta-agonists.
References

[1]. Ultrasensitive and Quantitative Detection of a New β-agonist Phenylethanolamine A by a Novel Immunochromatographic Assay Based on Surface-Enhanced Raman Scattering (SERS). J Agric Food Chem. 2014 Nov 12;62(45):10896-902.

Additional Infomation
Phenylethanolamine A-d3 is an essential analytical reference standard for food safety monitoring. The compound is used by regulatory laboratories to detect and quantify illegal use of the beta-agonist phenylethanolamine A in livestock production. Phenylethanolamine A is known to be a byproduct of ractopamine synthesis and has been found as an adulterant in animal feed. The deuterated internal standard enables accurate, regulatory-compliant analysis by LC-MS/MS.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C19H21D3N2O4
Molecular Weight
347.42
Exact Mass
347.192
CAS #
2507994-61-6
Related CAS #
Phenylethanolamine A;1346746-81-3
PubChem CID
146673161
Appearance
White to off-white solid powder
LogP
3.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
8
Heavy Atom Count
25
Complexity
385
Defined Atom Stereocenter Count
0
SMILES
O(C([2H])([2H])[2H])C1C=CC(=CC=1)C(CNC(C)CCC1C=CC(N(=O)=O)=CC=1)O
InChi Key
DVUFPRMEKXKECP-BMSJAHLVSA-N
InChi Code
InChI=1S/C19H24N2O4/c1-14(3-4-15-5-9-17(10-6-15)21(23)24)20-13-19(22)16-7-11-18(25-2)12-8-16/h5-12,14,19-20,22H,3-4,13H2,1-2H3/i2D3
Chemical Name
2-[4-(4-nitrophenyl)butan-2-ylamino]-1-[4-(trideuteriomethoxy)phenyl]ethanol
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 2.8784 mL 14.3918 mL 28.7836 mL
5 mM 0.5757 mL 2.8784 mL 5.7567 mL
10 mM 0.2878 mL 1.4392 mL 2.8784 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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