| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
|
||
| 250g |
|
||
| Other Sizes |
| Targets |
2-Methylpropane-2-sulfinamide does not have a defined primary drug target as it is a synthetic intermediate and chemical reagent rather than a therapeutic agent. However, it is used in the synthesis of BACE1 (beta-secretase 1) inhibitors, which target the enzyme responsible for producing amyloid-beta peptides in Alzheimer's disease. The sulfinamide functionality can serve as a chiral auxiliary or as a precursor to sulfonimidamides and other sulfur-containing pharmacophores. Compounds synthesized from this intermediate may target various enzymes or receptors depending on the final structure.
|
|---|---|
| ln Vitro |
As a synthetic intermediate, 2-Methylpropane-2-sulfinamide is not typically evaluated for direct in vitro biological activity against specific molecular targets. The compound's role is primarily as a chemical building block rather than a bioactive molecule. Any biological activity observed would be incidental and not the intended purpose. The compound's utility lies in its ability to introduce sulfinamide functionality into drug candidates, which can modulate physicochemical properties and biological activity of the final molecules.
|
| ln Vivo |
In vivo activity data for 2-Methylpropane-2-sulfinamide itself is not available in the published literature, as the compound is a synthetic intermediate rather than a therapeutic agent. Drug candidates synthesized using this sulfinamide reagent may be evaluated in animal models for various indications, but the biological activity is attributed to the final drug molecule. The compound's primary applications remain in organic synthesis and medicinal chemistry research.
|
| Enzyme Assay |
Cell-free biochemical assays involving 2-Methylpropane-2-sulfinamide typically focus on its use as a synthetic reagent rather than as a biological assay compound. In organic synthesis, a standard protocol for using this sulfinamide involves its reaction with aldehydes or ketones to form sulfinimines (N-sulfinyl imines), which are valuable chiral intermediates for asymmetric synthesis. The reaction typically employs titanium ethoxide or other Lewis acids as catalysts. The sulfinamide can also be used in the preparation of sulfonimidamides through oxidation or substitution reactions. Product formation is monitored by TLC and characterized by NMR spectroscopy.
|
| Cell Assay |
Cell-based assays are not typically performed with 2-Methylpropane-2-sulfinamide as the compound is a chemical reagent rather than a drug candidate. For drug molecules synthesized using this intermediate, standard cell-based protocols would apply depending on the target indication. For example, BACE1 inhibitors synthesized from this reagent may be evaluated in cell-based assays measuring amyloid-beta production in neuronal cell lines. Cells are treated with varying concentrations of the test compound, and Aβ levels in culture supernatants are measured by ELISA.
|
| Animal Protocol |
In vivo studies are not typically conducted with 2-Methylpropane-2-sulfinamide itself. For drug candidates synthesized using this reagent, standard in vivo efficacy studies are performed in appropriate animal models. For anti-Alzheimer's candidates targeting BACE1, transgenic mouse models of amyloid pathology are commonly used. A typical protocol involves oral administration of the test compound for several weeks, followed by assessment of brain Aβ levels, plaque burden, and cognitive function through behavioral tests. The sulfinamide moiety may contribute to the overall pharmacokinetic and pharmacodynamic profile of the final drug.
|
| ADME/Pharmacokinetics |
As a synthetic intermediate rather than a drug, comprehensive pharmacokinetic data for 2-Methylpropane-2-sulfinamide is not available. The compound's molecular weight of 121.20 g/mol and polar sulfinamide functionality suggest reasonable aqueous solubility. For drug molecules synthesized from this intermediate, ADME properties depend on the final structure. Sulfinamide-containing compounds may exhibit variable oral bioavailability and metabolic stability. The sulfinamide group can be metabolized through oxidation to sulfonamide or other sulfur-containing metabolites.
|
| Toxicity/Toxicokinetics |
Toxicological data specific to 2-Methylpropane-2-sulfinamide is limited in publicly available literature. As with all chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound should be stored under appropriate conditions and handled with personal protective equipment. For drug candidates synthesized using this intermediate, comprehensive toxicological evaluation is required as part of the drug development process, including acute and repeat-dose toxicity studies, genotoxicity assessment, and safety pharmacology profiling.
|
| Additional Infomation |
Structure in the first source
2-Methylpropane-2-sulfinamide is a research chemical and synthetic intermediate rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a versatile building block in organic synthesis, particularly for the preparation of chiral sulfinamides and sulfonimidamides. Its applications in medicinal chemistry include the synthesis of BACE1 inhibitors for Alzheimer's disease research and other sulfur-containing pharmacologically active compounds. |
| Molecular Formula |
C4H11NOS
|
|---|---|
| Molecular Weight |
121.20
|
| Exact Mass |
121.056
|
| CAS # |
146374-27-8
|
| PubChem CID |
3382465
|
| Appearance |
White to light yellow solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
220.0±23.0 °C at 760 mmHg
|
| Melting Point |
97-101ºC
|
| 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 |
0
|
| SMILES |
S(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(N([H])[H])=O
|
| InChi Key |
CESUXLKAADQNTB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3
|
| Chemical Name |
2-methylpropane-2-sulfinamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
