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Dimethylamine-d6 Amine Hydrochloride (Dimethyl-d6 Amine Hydrochloride)

Cat No.:V61725 Purity: ≥98%
Dimethylamine-d6 ( HCl) is a deuterium labelled Dimethylamine HCl.
Dimethylamine-d6 Amine Hydrochloride (Dimethyl-d6 Amine Hydrochloride)
Dimethylamine-d6 Amine Hydrochloride (Dimethyl-d6 Amine Hydrochloride) Chemical Structure CAS No.: 53170-19-7
Product category: Others 12
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
500mg
Other Sizes
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Product Description
Dimethylamine-d6 ( HCl) is a deuterium labelled Dimethylamine HCl. Dimethylamine HCl is a direct precursor of dimethylnitrosamine, a known potent carcinogen in many animals.
Dimethylamine-d6 hydrochloride (Dimethyl-d6 Amine Hydrochloride) is a deuterium labeled form of dimethylamine hydrochloride. In this compound, all six hydrogen atoms on the two methyl groups are replaced with deuterium. It is used as a stable isotope-labeled internal standard in analytical chemistry and as a precursor for the synthesis of deuterated compounds.
Biological Activity I Assay Protocols (From Reference)
Targets
Dimethylamine-d6 hydrochloride does not have a biological target as it is an analytical standard rather than a therapeutic agent. Dimethylamine hydrochloride (the non-deuterated form) is the immediate precursor of dimethylnitrosamine, a known potent carcinogen in a wide variety of animal species. The deuterated form serves as a stable isotope-labeled analog for analytical and research purposes.
ln Vitro
In vitro, Dimethylamine-d6 hydrochloride is used as an internal standard for the quantification of dimethylamine in biological and environmental samples by LC-MS/MS or GC-MS. The compound is added to samples at a known concentration, and the ratio of labeled to unlabeled dimethylamine is measured to determine the concentration of the endogenous compound.
ln Vivo
In vivo, Dimethylamine-d6 hydrochloride is not administered as a therapeutic agent. It is used in metabolic studies to trace the fate of dimethylamine in biological systems. The deuterated compound can be administered to animals to study the absorption, distribution, metabolism, and excretion of dimethylamine. However, such studies are specialized and not routine.
Enzyme Assay
Non-cell-based assays for Dimethylamine-d6 hydrochloride involve analytical chemistry methods including LC-MS/MS and GC-MS for quantification. The compound serves as an internal standard for the measurement of dimethylamine and related metabolites. Its chemical properties (molecular weight 87.58, formula C₂H₂D₆ClN) are characterized. Its stability in biological samples is evaluated.
Cell Assay
Cellular assays for Dimethylamine-d6 hydrochloride are not performed as the compound is an analytical standard. However, samples prepared using the compound as an internal standard may be used in metabolic studies of cell cultures. The compound itself does not have biological activity.
Animal Protocol
In vivo experiments with Dimethylamine-d6 hydrochloride typically involve its use as a tracer or internal standard in metabolic studies. Animals are administered the deuterated compound, and plasma, urine, or tissue samples are collected. The compound and its metabolites are quantified by LC-MS/MS or GC-MS. The deuterium labeling allows for precise tracking of the compound's fate in the body.
ADME/Pharmacokinetics
Pharmacokinetic properties are not applicable to Dimethylamine-d6 hydrochloride as it is an analytical standard rather than a therapeutic agent. The compound is a stable isotope-labeled form of dimethylamine hydrochloride with identical chemical properties to the non-deuterated form. Its stability in biological samples and chromatographic behavior are characterized for analytical applications. No PK data are available.
Toxicity/Toxicokinetics
The toxicity of Dimethylamine-d6 hydrochloride has not been evaluated as it is an analytical standard. Dimethylamine hydrochloride (the non-deuterated form) is the immediate precursor of dimethylnitrosamine, a known potent carcinogen. The deuterated form is expected to have similar properties but is handled with appropriate safety precautions. It is for research use only and is not intended for human consumption.
References

[1]. Dimethylamine formation in the rat from various related amine precursors. Food Chem Toxicol. 1998;36(11):923-927.

Additional Infomation
Dimethylamine-d6 hydrochloride (CAS# 53170-19-7) is a deuterium labeled form of dimethylamine hydrochloride with the molecular formula C₂H₂D₆ClN and a molecular weight of 87.58. It is also known as Dimethyl-d6 Amine Hydrochloride. The compound is a stable isotope-labeled internal standard used in analytical chemistry. Dimethylamine hydrochloride is the immediate precursor of dimethylnitrosamine, a known potent carcinogen. As of current knowledge, Dimethylamine-d6 hydrochloride is not approved as a therapeutic agent.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C2H2D6CLN
Molecular Weight
87.58
Exact Mass
87.072
CAS #
53170-19-7
PubChem CID
12199012
Appearance
White to off-white solid powder
Boiling Point
47ºC at 760 mmHg
Melting Point
170-173ºC(lit.)
LogP
1.028
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Heavy Atom Count
4
Complexity
2.8
Defined Atom Stereocenter Count
0
SMILES
[2H]C([2H])([2H])NC([2H])([2H])[2H].Cl
InChi Key
IQDGSYLLQPDQDV-TXHXQZCNSA-N
InChi Code
InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H/i1D3,2D3;
Chemical Name
1,1,1-trideuterio-N-(trideuteriomethyl)methanamine;hydrochloride
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)
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 11.4181 mL 57.0907 mL 114.1813 mL
5 mM 2.2836 mL 11.4181 mL 22.8363 mL
10 mM 1.1418 mL 5.7091 mL 11.4181 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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