| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
(S)-(-)-tert-Butylsulfinamide does not have a defined pharmacological target. It is a chiral reagent used in asymmetric synthesis. Its mechanism of action is chemical: the sulfinamide group acts as a chiral auxiliary, directing the stereoselective addition of nucleophiles to imines derived from it, enabling the synthesis of enantiomerically pure amines.
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|---|---|
| ln Vitro |
In vitro, (S)-(-)-tert-butylsulfinamide is used as a chiral auxiliary in asymmetric synthesis. It is used to synthesize enantiomerically pure amines by reacting with aldehydes or ketones to form imines, which then undergo stereoselective addition of nucleophiles. The resulting sulfinamide products can be cleaved to release the chiral amine.
|
| ln Vivo |
In vivo activity data for (S)-(-)-tert-butylsulfinamide are not available, as the compound is a chiral reagent used for in vitro synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile.
|
| Enzyme Assay |
For in vitro chemical synthesis, (S)-(-)-tert-butylsulfinamide is used as a chiral auxiliary. Standard protocols involve reacting the sulfinamide with an aldehyde or ketone to form the corresponding imine. The imine is then reacted with a nucleophile (e.g., organometallic reagent) to form a new chiral center with high stereoselectivity. The sulfinamide auxiliary is then cleaved under acidic conditions to release the enantiomerically pure amine.
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| Cell Assay |
For in vitro cell-based experiments, (S)-(-)-tert-butylsulfinamide is not typically used directly in cell culture. It is a chemical reagent used for asymmetric synthesis. The compound may be used in the synthesis of chiral compounds that are subsequently tested in cell-based assays.
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| Animal Protocol |
In vivo animal studies for (S)-(-)-tert-butylsulfinamide are not applicable, as the compound is a chiral reagent used for synthesis. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for (S)-(-)-tert-butylsulfinamide are not available, as the compound is not a drug and is not administered to living organisms. The compound is a solid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
(S)-(-)-tert-Butylsulfinamide is a research chemical and should be handled with appropriate laboratory safety precautions. As a sulfinamide, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
Structure in the first source
(S)-(-)-tert-Butylsulfinamide (S-(-)-T-Butylsulfinimide) (CAS 343338-28-3) is primarily a research-grade chiral reagent, not an FDA-approved pharmaceutical drug. Its primary application is as a chiral auxiliary in asymmetric synthesis for the preparation of enantiomerically pure amines. |
| Molecular Formula |
C4H11NOS
|
|---|---|
| Molecular Weight |
121.20
|
| Exact Mass |
121.056
|
| CAS # |
343338-28-3
|
| PubChem CID |
11355477
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
220.0±23.0 °C at 760 mmHg
|
| Melting Point |
97-101 °C(lit.)
|
| Flash Point |
86.8±22.6 °C
|
| Vapour Pressure |
0.1±0.4 mmHg at 25°C
|
| Index of Refraction |
1.523
|
| LogP |
-0.62
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
7
|
| Complexity |
84.2
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
[S@](C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(N([H])[H])=O
|
| InChi Key |
CESUXLKAADQNTB-ZETCQYMHSA-N
|
| InChi Code |
InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1
|
| Chemical Name |
(S)-2-methylpropane-2-sulfinamide
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (825.08 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.63 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (20.63 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (20.63 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.2508 mL | 41.2541 mL | 82.5083 mL | |
| 5 mM | 1.6502 mL | 8.2508 mL | 16.5017 mL | |
| 10 mM | 0.8251 mL | 4.1254 mL | 8.2508 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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