| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
1-Iodoethane-1,1,2,2,2-d5 does not have a specific biological target. It is a deuterium-labeled chemical reagent used in organic synthesis and reaction mechanism studies. Its primary function is as a building block for introducing deuterium-labeled ethyl groups into organic molecules.
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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].
The compound is not evaluated for traditional in vitro biological activity. Its "activity" is chemical, referring to its reactivity as an alkylating agent in nucleophilic substitution reactions. It is used to synthesize deuterium-labeled compounds for research in organic synthesis, reaction mechanisms, and environmental studies. |
| ln Vivo |
No in vivo activity is applicable for 1-Iodoethane-1,1,2,2,2-d5, as it is not a therapeutic agent. Its use is confined to the laboratory for organic synthesis and mechanistic studies. The compound is not administered to living organisms for any biological effect.
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| Enzyme Assay |
The compound is used as a chemical reagent in organic synthesis. A typical procedure involves its use in nucleophilic substitution reactions to introduce a deuterium-labeled ethyl group into target molecules. The reaction progress is monitored by TLC or NMR spectroscopy, and the product is isolated by standard workup and purification techniques.
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| Cell Assay |
1-Iodoethane-1,1,2,2,2-d5 is not used in standard cell culture for pharmacological studies. It is a chemical reagent used in organic synthesis to prepare deuterium-labeled compounds that may later be tested in biological systems. The compound itself is not added to cell culture media.
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| Animal Protocol |
Animal studies are not conducted with 1-Iodoethane-1,1,2,2,2-d5 as an active compound. Its purpose is to serve as a reagent for the synthesis of deuterium-labeled compounds that may later be tested in vivo. The compound is never administered to animals for therapeutic or investigative purposes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not relevant for 1-Iodoethane-1,1,2,2,2-d5, as it is not a therapeutic agent. Its chemical properties include a molecular weight of 161.00 g/mol and a molecular formula of C2D5I. It appears as a liquid and is typically stored at room temperature.
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| Toxicity/Toxicokinetics |
Toxicological data for 1-Iodoethane-1,1,2,2,2-d5 are not extensively detailed, as it is a research compound. It is not intended for human or veterinary use. Standard laboratory safety precautions, including the use of personal protective equipment (PPE), should be followed when handling the compound.
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| References | |
| Additional Infomation |
1-Iodoethane-1,1,2,2,2-d5 is a research-grade compound used in organic synthesis, reaction mechanism studies, and environmental research. Its deuterium labeling allows for the precise tracking of reaction mechanisms and the synthesis of deuterium-labeled compounds for various applications. The compound is not approved for therapeutic use and is strictly for laboratory research.
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| Molecular Formula |
C2D5I
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|---|---|
| Molecular Weight |
161.00
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| Exact Mass |
160.975
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| CAS # |
6485-58-1
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| PubChem CID |
2724853
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| Appearance |
Colorless to light yellow liquid
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| Density |
2.012 g/mL at 25ºC
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| Boiling Point |
69-73ºC(lit.)
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| Melting Point |
-108ºC(lit.)
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| Flash Point |
53ºC
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| Index of Refraction |
n20/D 1.5091(lit.)
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| LogP |
1.441
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
3
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| Complexity |
2.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C([2H])([2H])([2H])C([2H])([2H])I
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| InChi Key |
HVTICUPFWKNHNG-ZBJDZAJPSA-N
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| InChi Code |
InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2
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| Chemical Name |
1,1,1,2,2-pentadeuterio-2-iodoethane
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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 |
| 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 | 6.2112 mL | 31.0559 mL | 62.1118 mL | |
| 5 mM | 1.2422 mL | 6.2112 mL | 12.4224 mL | |
| 10 mM | 0.6211 mL | 3.1056 mL | 6.2112 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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