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| 10mg |
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| Targets |
1,4-Butanediamine-d4 dihydrochloride does not have a specific pharmacological target as it is a stable isotope-labeled internal standard rather than a therapeutic drug. Putrescine itself is a polyamine involved in cellular proliferation, differentiation, and apoptosis. The deuterated form is used as a tracer to study polyamine metabolism and as an internal standard for the quantification of putrescine in biological samples.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro activity of 1,4-Butanediamine-d4 dihydrochloride is measured as its utility as a tracer in polyamine metabolism studies. In cell culture, the labeled putrescine is incorporated into cellular polyamine pools, allowing for tracking via mass spectrometry. Its "activity" is reflected in its metabolic incorporation and its ability to serve as a probe for studying polyamine biosynthesis and catabolism. |
| ln Vivo |
In vivo, 1,4-Butanediamine-d4 dihydrochloride is used to study polyamine metabolism, distribution, and turnover in living organisms. Administered orally or intravenously, the labeled putrescine is absorbed, distributed to tissues, and incorporated into polyamine pools or metabolized. These studies provide quantitative data on polyamine kinetics and the role of polyamines in cell growth and differentiation.
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| Enzyme Assay |
In vitro enzyme assays with 1,4-Butanediamine-d4 dihydrochloride typically involve studying enzymes of polyamine metabolism such as ornithine decarboxylase, spermidine synthase, and diamine oxidase. The labeled substrate is incubated with enzyme preparations, and the reaction products are analyzed by mass spectrometry. These assays provide mechanistic insights into enzyme kinetics and polyamine metabolism.
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| Cell Assay |
In vitro cell culture experiments with 1,4-Butanediamine-d4 dihydrochloride involve supplementing cell culture media with the labeled putrescine. Cells are cultured to allow incorporation of the label into cellular polyamine pools. Following incubation, cells are harvested, and polyamines are extracted for analysis by mass spectrometry. These experiments are used to study polyamine metabolism in various cell types.
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| Animal Protocol |
In vivo animal experiments with 1,4-Butanediamine-d4 dihydrochloride typically involve administering the labeled compound via oral gavage or injection to rodents. Blood, tissues, and excreta are collected at various time points. Isotopic enrichment of putrescine and its metabolites is measured by mass spectrometry. These studies provide quantitative data on whole-body polyamine metabolism.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of 1,4-Butanediamine-d4 dihydrochloride are essentially identical to those of natural putrescine. Putrescine is absorbed from the gastrointestinal tract, distributed throughout the body, and incorporated into polyamine pools or metabolized. It has a relatively short plasma half-life due to rapid clearance and utilization. The deuterium label allows for precise tracking of the compound's distribution and metabolism.
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| Toxicity/Toxicokinetics |
1,4-Butanediamine-d4 dihydrochloride has a low toxicity profile as putrescine is a naturally occurring polyamine. The deuterium label does not introduce additional toxicity. For research use, standard laboratory safety practices are sufficient. At normal physiological concentrations, putrescine is safe and well-tolerated. Comprehensive toxicology studies have not been published for this compound.
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| References |
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| Additional Infomation |
1,4-Butanediamine-d4 dihydrochloride (Putrescine-d4 dihydrochloride) is a stable isotope-labeled form of putrescine used as a tracer in polyamine metabolism studies and as an internal standard for mass spectrometry-based quantification. It is not a drug and has no therapeutic indications. It is available for laboratory research use only as a tool for studying polyamine biosynthesis, catabolism, and cellular function.
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| Molecular Formula |
C4H9D4CLN2
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|---|---|
| Molecular Weight |
128.64
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| Exact Mass |
164.079
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| CAS # |
88972-24-1
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| Related CAS # |
1,4-Butanediamine;110-60-1;1,4-Butanediamine dihydrochloride;333-93-7
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| PubChem CID |
12246166
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| Appearance |
White to off-white solid powder
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| Boiling Point |
244.5ºC at 760 mmHg
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| Melting Point |
280ºC (dec.)(lit.)
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| Flash Point |
101.7ºC
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| LogP |
2.688
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
17.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(CN)C([2H])([2H])CN.Cl.Cl
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| InChi Key |
XXWCODXIQWIHQN-RIZDZYNXSA-N
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| InChi Code |
InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H/i1D2,2D2;;
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| Chemical Name |
2,2,3,3-tetradeuteriobutane-1,4-diamine;dihydrochloride
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
H2O: 125 mg/mL (971.70 mM)
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|---|---|
| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.7736 mL | 38.8682 mL | 77.7363 mL | |
| 5 mM | 1.5547 mL | 7.7736 mL | 15.5473 mL | |
| 10 mM | 0.7774 mL | 3.8868 mL | 7.7736 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.
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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