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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
L-Homocysteine-d4 does not have a specific pharmacological target. It is a stable isotope-labeled compound used as an analytical standard for the quantification of homocysteine in biological samples. Homocysteine itself is an α-amino acid in the class of non-proteinogenic amino acids, biosynthesized from methionine. It is a weak neurotoxin that affects kynurenic acid production.
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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, L-Homocysteine-d4 is used as an internal standard for mass spectrometry-based quantification of homocysteine levels in biological samples. Specific biological activity data are not applicable as it is an analytical standard rather than a pharmacologically active compound. |
| ln Vivo |
In vivo, homocysteine is a metabolite involved in methionine metabolism. Elevated homocysteine levels are associated with cardiovascular disease and neurodegenerative conditions. L-Homocysteine-d4 can be administered to animals as a tracer to study homocysteine metabolism. Specific in vivo data are not provided.
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| Enzyme Assay |
A cell-free assay for L-Homocysteine-d4 is not applicable as it is not an enzyme inhibitor or receptor ligand. Its primary use is as an analytical standard in mass spectrometry. The compound's isotopic purity can be confirmed by mass spectrometry.
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| Cell Assay |
Cellular experiments with L-Homocysteine-d4 are not typical, as it is primarily used as an analytical standard. It can be used in cell culture studies to trace homocysteine metabolism.
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| Animal Protocol |
In vivo animal experiments for L-Homocysteine-d4 would involve administering the compound to animals and analyzing biological samples by mass spectrometry to study homocysteine metabolism. Specific protocols are not detailed.
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| ADME/Pharmacokinetics |
L-Homocysteine-d4 has a molecular formula of C4H5D4NO2S and a molecular weight of 139.21. Its IUPAC name is 2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid. Specific pharmacokinetic parameters are not applicable as it is an analytical standard rather than a therapeutic drug.
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| Toxicity/Toxicokinetics |
Toxicity data for L-Homocysteine-d4 are not provided in the available sources. As a deuterated compound, it is expected to have a similar safety profile to homocysteine, which is a weak neurotoxin at high concentrations. The compound is intended for research use only and not for human consumption.
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| References | |
| Additional Infomation |
L-Homocysteine-d4 (CAS: 416845-90-4) is the deuterium-labeled form of DL-homocysteine. It is also known as DL-Homocysteine-3,3,4,4-d4. The compound has a molecular formula of C4H5D4NO2S and a molecular weight of 139.21. It is used as a stable isotope-labeled standard in research. It is not a therapeutic drug and is strictly for research purposes.
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| Molecular Formula |
C4H9NO2S
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|---|---|
| Molecular Weight |
139.209406614304
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| Exact Mass |
139.06
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| CAS # |
416845-90-4
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| Related CAS # |
L-Homocysteine;6027-13-0
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| PubChem CID |
89852651
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
299.7±35.0 °C at 760 mmHg
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| Flash Point |
135.0±25.9 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.538
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| LogP |
0.22
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
86.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C(C(=O)O)N)C([2H])([2H])S
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| InChi Key |
FFFHZYDWPBMWHY-LNLMKGTHSA-N
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| InChi Code |
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/i1D2,2D2
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| Chemical Name |
2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
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
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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 | 7.1834 mL | 35.9170 mL | 71.8339 mL | |
| 5 mM | 1.4367 mL | 7.1834 mL | 14.3668 mL | |
| 10 mM | 0.7183 mL | 3.5917 mL | 7.1834 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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