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| Other Sizes |
| Targets |
The primary target of Timonacic is the cell membrane of tumor cells. It acts through an unknown mechanism, inducing the reversal of malignant cells to an untransformed state. The compound may also have immunomodulatory properties.
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| ln Vitro |
In vitro, Timonacic has been shown to have potential antineoplastic activity. It acts on the cell membrane of tumor cells, potentially causing reverse transformation to normal cells. The compound's activity has been confirmed in various in vitro models.
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| ln Vivo |
In vivo, Timonacic has been used as an adjuvant in the treatment of acute and hepatic disorders. Its immunomodulatory properties can assist in supporting the immune response and promoting healing in these conditions. The compound has also been used for the treatment of some cases of cancer, through the induction of the reverse transformation.
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| Enzyme Assay |
In vitro enzyme or receptor binding assays for Timonacic are not commonly performed, as it does not have a single specific target. Its activity is assessed in cell-based assays rather than direct enzyme inhibition studies. The compound's ability to induce reverse transformation is studied by measuring changes in cell behavior and markers of malignant transformation.
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| Cell Assay |
In vitro cell-based assays for Timonacic are performed using tumor cell lines. Cells are treated with the compound, and the effects on cell morphology, proliferation, and transformation are assessed. The compound's ability to induce reverse transformation to normal cells is evaluated.
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| Animal Protocol |
In vivo animal experiments for Timonacic are limited. The compound has been used in research as an adjuvant in the treatment of acute and hepatic disorders. However, specific detailed protocols for in vivo studies are not well-documented. The compound is typically administered orally or intravenously in preclinical studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of Timonacic indicate that it has a molecular weight of 133.17 and a molecular formula of C4H7NO2S. It is a white to off-white solid. Storage at 2-8°C in a refrigerator is recommended. The compound is soluble in DMSO and other organic solvents.
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| Toxicity/Toxicokinetics |
Toxicology (toxicology) data for Timonacic are limited. As a cyclic sulfur amino acid derivative, it is generally considered safe at moderate doses. However, its safety profile in the context of therapeutic use requires further evaluation. The compound is for research use only and not for human therapeutic use.
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| References | |
| Additional Infomation |
Thioproline is a sulfur-containing amino acid with the structure proline, where the 4-methylene group is replaced by a sulfur atom. It possesses hepatoprotective, antioxidant, and detoxifying properties. Thioproline is a sulfur-containing amino acid, a thiazolidinyl carboxylic acid, and a non-protein α-amino acid; it is also a zwitterion tautomer of thioproline. Timonasic acid has been used in clinical trials for the treatment of HIV infection. Timonasic acid has been reported in Arabidopsis thaliana, Lentinus edodes, and other organisms with relevant data. Timonasic acid is a cyclic sulfur-containing amino acid derivative with potential antitumor and antioxidant activities. Timonasic acid may act on the cell membrane of malignant cells through an unknown mechanism, inducing the reversal of malignant cells to an untransformed state. The drug may also restore contact inhibition, a phenomenon characterized by paracrine inhibition of mitosis after cells reach a critical cell mass, possibly a result of intercellular signaling. Furthermore, timonasic acid may also exert antioxidant effects by releasing cysteine and restoring glutathione concentrations.
Other information: Timonacic is also known as Thioproline, Thiazolidine-4-carboxylic acid, DL-4-Thiazolidinecarboxylic acid, and DL-Thiaproline. The compound is a racemic mixture. It has diverse therapeutic potential, particularly in oncology, liver diseases, and anti-aging research. Its CAS number is 444-27-9. |
| Molecular Formula |
C4H7NO2S
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|---|---|
| Molecular Weight |
133.17
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| Exact Mass |
133.019
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| CAS # |
444-27-9
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| Related CAS # |
35041-11-3 (hydrochloride salt)
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| PubChem CID |
9934
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
350.3±37.0 °C at 760 mmHg
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| Melting Point |
199 - 201ºC
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| Flash Point |
165.7±26.5 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.566
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| LogP |
-0.39
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
8
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| Complexity |
106
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1NCSC1)O
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| InChi Key |
DZLNHFMRPBPULJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
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| Chemical Name |
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) |
H2O : ~14.29 mg/mL (~107.31 mM)
DMSO : ~6 mg/mL (~45.06 mM) |
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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 | 7.5092 mL | 37.5460 mL | 75.0920 mL | |
| 5 mM | 1.5018 mL | 7.5092 mL | 15.0184 mL | |
| 10 mM | 0.7509 mL | 3.7546 mL | 7.5092 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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