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| Other Sizes |
| Targets |
The primary target of Timonacic is the cellular membrane of malignant cells. The compound exerts its effects through an unknown mechanism, but it is believed to act on the cell membrane to induce phenotypic reversion of cancer cells. Timonacic may also produce antioxidant effects secondary to its release of cysteine and restoration of glutathione concentrations.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
In vitro, Timonacic has been shown to have potential antineoplastic activity. It acts on the cellular membranes of malignant cells, potentially inducing reverse transformation to normal cells. The compound may also produce antioxidant effects secondary to its release of cysteine and restoration of glutathione concentrations. |
| 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 studied for its potential anticancer activity.
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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 restore contact inhibition can be studied by measuring cell proliferation and cell-to-cell signaling in malignant cell cultures.
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| Cell Assay |
In vitro cell-based assays for Timonacic are performed using malignant cell lines. Cells are treated with the compound, and the effects on cell morphology, proliferation, and contact inhibition are assessed. The compound's ability to induce reverse transformation is evaluated by measuring changes in cell behavior and markers of malignant transformation.
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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. The IUPAC name is (4R)-1,3-thiazolidine-4-carboxylic acid. The compound is a white powder. It is soluble in water and other polar solvents. Storage at -20°C under inert atmosphere is recommended for long-term stability.
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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 |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
L-Thioproline is the optically active form of thioproline, possessing the L-configuration. It is a metabolite and an anti-aging agent. It is a thiazolidinyl monocarboxylic acid and also a type of thioproline. L-Thioproline has been reported to exist in Drosophila and Trypanosoma japonicum, and relevant data are available for reference.
Other information: Timonacic is also known as L-Thioproline and (4R)-4-thiazolidin-3-iumcarboxylate. It is a cyclic sulfur amino acid derivative with potential antineoplastic and antioxidant activities. The compound has been used as an adjuvant in the treatment of acute and hepatic disorders. Its CAS number is 34592-47-7. |
| Molecular Formula |
C4H7NO2S
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|---|---|
| Molecular Weight |
133.168879747391
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| Exact Mass |
133.019
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| CAS # |
34592-47-7
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| Related CAS # |
444-27-9 (racemate);35041-11-3 (racemate sodium);34592-47-7 (R-isomer);45521-09-3 (S-isomer); 35041-11-3 (R-isomer sodium); 67089-84-3 (R-isomer HCl); 100208-30-8 (sodium);
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| PubChem CID |
93176
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| Appearance |
White to off-white solid powder
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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 |
190-200 °C (dec.)(lit.)
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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 |
1
|
| SMILES |
C1[C@@H](C(=O)O)NCS1
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| InChi Key |
DZLNHFMRPBPULJ-VKHMYHEASA-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)/t3-/m0/s1
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| Chemical Name |
(4R)-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) |
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 | 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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