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| Other Sizes |
| Targets |
2-(Boc-amino)ethanethiol is used in the synthesis of several organic compounds. It is a bifunctional cross-linker used in the synthesis of bifunctional azobenzene glycoconjugates. It is used in the synthesis of an anisamide-targeted cyclodextrin nanoformulation for siRNA delivery to prostate cancer cells.
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| ln Vitro |
In vitro, 2-(Boc-amino)ethanethiol is used as a chemical reagent in organic synthesis. It is a bifunctional cross-linker. It is used to synthesize compounds for various research applications, including siRNA delivery. It does not have direct biological activity.
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| ln Vivo |
In vivo, 2-(Boc-amino)ethanethiol is not used as a therapeutic agent. It is a chemical building block. The compounds synthesized from it, such as siRNA nanoformulations, have potential therapeutic applications.
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| Enzyme Assay |
Cell-free assays for 2-(Boc-amino)ethanethiol: the compound is characterized by NMR, HPLC, and mass spectrometry to confirm its identity and purity. It is used as a reagent in chemical synthesis. No specific biological assays are applicable as it is a synthetic intermediate.
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| Cell Assay |
Cellular assays for 2-(Boc-amino)ethanethiol: the compound is not typically used in cellular assays as it is a synthetic intermediate. The siRNA nanoformulations synthesized from it are tested in cellular models for gene silencing efficacy and cytotoxicity.
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| Animal Protocol |
In vivo animal studies for 2-(Boc-amino)ethanethiol: the compound is not administered to animals directly. The siRNA nanoformulations synthesized from it are tested in animal models for therapeutic efficacy and safety.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-(Boc-amino)ethanethiol: as a small molecule, it is not intended for therapeutic use. No pharmacokinetics are applicable. Storage: powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
Toxicity of 2-(Boc-amino)ethanethiol: as a chemical reagent, it may be toxic if ingested or inhaled. It is for research use only. Standard laboratory safety precautions should be followed.
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| References | |
| Additional Infomation |
2-(Boc-amino)ethanethiol is a research chemical used as a building block and cross-linker in organic synthesis. It is used to synthesize compounds for siRNA delivery and other applications. No clinical applications have been reported.
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| Molecular Formula |
C7H15NO2S
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|---|---|
| Molecular Weight |
177.26
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| Exact Mass |
177.082
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| CAS # |
67385-09-5
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| PubChem CID |
3017761
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.049 g/mL at 20ºC(lit.)
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| Boiling Point |
68ºC0.3 mm Hg(lit.)
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| Flash Point |
>230 °F
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| Index of Refraction |
n20/D 1.474(lit.)
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| LogP |
1.831
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
11
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| Complexity |
131
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(OC(NCCS)=O)C
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| InChi Key |
GSJJCZSHYJNRPN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)8-4-5-11/h11H,4-5H2,1-3H3,(H,8,9)
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| Chemical Name |
tert-butyl N-(2-sulfanylethyl)carbamate
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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. |
| 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 | 5.6414 mL | 28.2072 mL | 56.4143 mL | |
| 5 mM | 1.1283 mL | 5.6414 mL | 11.2829 mL | |
| 10 mM | 0.5641 mL | 2.8207 mL | 5.6414 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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