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| Other Sizes |
| Targets |
(Rac)-Telmesteine targets proteases, functioning as a protease inhibitor. By inhibiting protease activity, it serves as an enzyme stabilizer in formulations containing proteases. The compound prevents protease-mediated degradation of other proteins and enzymes in detergent and cleaning product formulations. Its mechanism involves reversible or irreversible binding to the active site of proteases, thereby reducing their catalytic activity and extending the shelf life of protease-containing products.
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| ln Vitro |
In vitro studies have demonstrated that (Rac)-Telmesteine functions as a protease inhibitor. The compound's ability to inhibit protease activity has been characterized in enzyme inhibition assays using various proteases. Its efficacy as an enzyme stabilizer has been demonstrated in detergent formulations containing proteases. The compound prevents the autodegradation of proteases and protects other formulation components from proteolytic cleavage. IC₅₀ values for protease inhibition are typically determined using fluorogenic or chromogenic substrates in appropriate assay buffers.
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| ln Vivo |
In vivo studies of (Rac)-Telmesteine have not been extensively reported, as the compound is primarily used as an enzyme stabilizer in industrial applications rather than as a therapeutic drug. The compound's safety and efficacy have been evaluated in the context of its use in detergent and cleaning product formulations. No significant systemic effects are expected from topical or environmental exposure at the concentrations used in commercial products. The compound is disclosed in patent WO 2017220302 A1 as a novel protease inhibitor.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for (Rac)-Telmesteine typically involve protease inhibition studies. Various proteases (e.g., serine proteases, cysteine proteases, aspartic proteases) are incubated with increasing concentrations of the compound (0.1-100 μM) and a suitable chromogenic or fluorogenic substrate (e.g., N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide for chymotrypsin-like proteases) in assay buffer (pH 7.4-8.0) at 25-37°C for 30-60 minutes. The release of the chromophore or fluorophore is measured spectrophotometrically or fluorometrically. IC₅₀ values are determined from dose-response curves by nonlinear regression. Enzyme kinetics can be analyzed to determine the mode of inhibition (competitive, non-competitive, or uncompetitive). The compound's specificity for different protease types can be assessed using a panel of proteases.
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| Cell Assay |
For in vitro cell-based assays, (Rac)-Telmesteine is typically evaluated for its effects on protease activity in cell culture systems. Cells that express or secrete proteases (e.g., cancer cells, inflammatory cells) are cultured in appropriate media and treated with the compound at concentrations ranging from 1-100 μM for 24-72 hours. Protease activity in cell lysates or conditioned media is measured using fluorogenic or chromogenic substrates. Cell viability is assessed by MTT or CCK-8 assays to evaluate cytotoxicity. The compound's effects on cellular processes mediated by proteases (e.g., cell migration, invasion, extracellular matrix degradation) can be assessed using Transwell migration assays, Matrigel invasion assays, or gelatin zymography. The compound's primary application, however, is as an enzyme stabilizer in industrial formulations rather than as a cellular tool compound.
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| Animal Protocol |
In vivo animal studies with (Rac)-Telmesteine are limited, as the compound is primarily used in industrial applications (detergents and cleaning agents) rather than as a therapeutic drug. If used in preclinical studies, the compound would typically be administered orally or intraperitoneally to rodents at doses ranging from 1-50 mg/kg. Blood samples would be collected for pharmacokinetic analysis. Tissue samples would be collected for histopathological examination. However, no specific in vivo animal study protocols have been published for this compound. The compound's safety profile in animals would be evaluated according to standard toxicology protocols for industrial chemicals.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (Rac)-Telmesteine have not been extensively characterized, as the compound is primarily used in industrial applications rather than as a therapeutic drug. The compound has a molecular weight of 205.23 g/mol and molecular formula C₇H₁₁NO₄S, suggesting moderate oral bioavailability. As a small molecule with polar functional groups (carboxylic acid, amide, sulfoxide), the compound is expected to have moderate aqueous solubility. The compound's absorption, distribution, metabolism, and excretion would depend on its physicochemical properties and formulation. Standard pharmacokinetic studies have not been published for this compound.
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| Toxicity/Toxicokinetics |
(Rac)-Telmesteine is considered to have a favorable safety profile for its intended use as an enzyme stabilizer in detergents and cleaning agents. At the concentrations used in commercial products, the compound is not expected to cause significant toxicity. Standard safety assessments for industrial chemicals would include acute toxicity, skin and eye irritation, sensitization, and repeated dose toxicity studies. The compound is not intended for human therapeutic use. As a racemic mixture, both enantiomers may contribute to the overall activity and safety profile. No specific toxicity data have been published for this compound.
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| Additional Infomation |
(Rac)-Telmesteine is a protease inhibitor disclosed in patent WO 2017220302 A1 (compound II-1). It is suitable as an enzyme stabilizer and can be used in protease-containing detergents and cleaning agents. The compound is a racemic mixture (hence the prefix "(Rac)-") of the two enantiomers of telmesteine. It is intended for industrial applications rather than therapeutic use. The compound is also known as替美司坦 in Chinese. Its primary value is as an enzyme stabilizer that prevents protease autodegradation and extends product shelf life.
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| Molecular Formula |
C7H11NO4S
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| Molecular Weight |
205.2315
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| Exact Mass |
205.041
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| CAS # |
127657-29-8
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| Related CAS # |
Telmesteine;122946-43-4
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| PubChem CID |
11615393
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| Appearance |
White to off-white solid powder
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| Melting Point |
98ºC
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| LogP |
0.54
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
221
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C([H])([H])N(C(=O)OC([H])([H])C([H])([H])[H])C([H])(C(=O)O[H])C1([H])[H]
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| InChi Key |
XBJWOGLKABXFJE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)
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| Chemical Name |
3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic 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 |
| 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) |
DMSO : ≥ 250 mg/mL (~1218.15 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (10.13 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 20.8 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: ≥ 2.08 mg/mL (10.13 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 20.8 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: ≥ 2.08 mg/mL (10.13 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 | 4.8726 mL | 24.3629 mL | 48.7258 mL | |
| 5 mM | 0.9745 mL | 4.8726 mL | 9.7452 mL | |
| 10 mM | 0.4873 mL | 2.4363 mL | 4.8726 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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