| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
The primary molecular targets of N,N-diethyl-2-((6-methylpyridin-2-yl)methylene)hydrazinecarbothioamide have not been definitively established in the published literature. However, based on the chemical structure of this hydrazinecarbothioamide class, potential targets include metal-dependent enzymes such as metalloproteases and carbonic anhydrases, given the compound's ability to form coordination complexes with transition metal ions. The thioamide sulfur and hydrazone nitrogen atoms serve as electron donors for metal chelation, which could disrupt the catalytic activity of zinc-dependent enzymes. Additionally, the compound may interact with thiol-containing biomolecules such as glutathione and cysteine residues in proteins through disulfide exchange or Michael addition reactions. Some hydrazinecarbothioamide derivatives have been reported to inhibit topoisomerases and kinases, though specific target validation for this compound requires further experimental investigation.
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| ln Vitro |
In vitro biological activity data for N,N-diethyl-2-((6-methylpyridin-2-yl)methylene)hydrazinecarbothioamide specifically are not well-documented in the available literature. However, structurally related hydrazinecarbothioamide derivatives have demonstrated promising in vitro activities against various cancer cell lines, including HeLa, MCF-7, and A549 cells, with IC50 values typically in the micromolar range. These compounds often exert their antiproliferative effects through induction of apoptosis and cell cycle arrest. Additionally, related compounds have shown antibacterial activity against both Gram-positive and Gram-negative bacterial strains, as well as antifungal activity against Candida species. The presence of the pyridinylmethylene group may enhance membrane permeability and target affinity compared to simpler hydrazinecarbothioamides. Specific IC50 values and selectivity profiles for this particular compound would need to be determined through systematic in vitro screening against relevant cell lines and pathogens.
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| ln Vivo |
In vivo pharmacological data for N,N-diethyl-2-((6-methylpyridin-2-yl)methylene)hydrazinecarbothioamide are not available in the current literature. As a chemical intermediate primarily used for synthetic purposes, this compound has not been subjected to extensive animal model studies for therapeutic evaluation. However, structurally analogous hydrazinecarbothioamide derivatives have been evaluated in murine xenograft models for anticancer activity, showing tumor growth inhibition at doses ranging from 10 to 50 mg/kg administered intraperitoneally or orally. These compounds typically exhibit moderate oral bioavailability and reasonable plasma half-lives. Some derivatives have also been tested in rodent models of inflammation and infection, demonstrating dose-dependent efficacy. The lack of specific in vivo data for this compound underscores its current status as a research intermediate rather than a drug candidate, and further preclinical development would require comprehensive pharmacokinetic and pharmacodynamic studies in appropriate animal models.
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| Enzyme Assay |
For in vitro enzyme/receptor binding assays for this class of hydrazinecarbothioamide compounds, the following general protocol is employed: test compound is dissolved in DMSO to prepare a 10 mM stock solution, which is then serially diluted in assay buffer to final concentrations ranging from 0.1 nM to 100 μM. The enzyme of interest (e.g., a metalloprotease or kinase) is incubated with the compound at 25-37°C for 30-60 minutes in the presence of a fluorogenic or chromogenic substrate. Fluorescence intensity or absorbance is measured using a microplate reader to determine the residual enzyme activity. IC50 values are calculated by fitting the dose-response data to a four-parameter logistic equation using nonlinear regression analysis. For receptor binding studies, radioligand displacement assays are performed using membrane preparations from cells expressing the target receptor, with incubation at room temperature for 60-120 minutes followed by filtration through glass fiber filters to separate bound from free radioligand.
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| Cell Assay |
For in vitro cell-based assays with hydrazinecarbothioamide derivatives like this compound, the following typical protocol is used: cells (e.g., HeLa, MCF-7, or A549) are cultured in appropriate medium supplemented with 10% fetal bovine serum and 1% penicillin-streptomycin at 37°C in a 5% CO2 humidified atmosphere. Cells are seeded in 96-well plates at a density of 5,000-10,000 cells per well and allowed to adhere overnight. The test compound is dissolved in DMSO and diluted in culture medium to achieve final concentrations typically ranging from 0.1 to 100 μM, with the final DMSO concentration not exceeding 0.1%. After 24-72 hours of treatment, cell viability is assessed using the MTT or CCK-8 assay: MTT solution is added to each well and incubated for 4 hours, followed by addition of solubilization buffer and measurement of absorbance at 570 nm. IC50 values are calculated from dose-response curves. Apoptosis can be evaluated by flow cytometry using Annexin V-FITC/PI double staining following 24-48 hours of compound treatment.
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| Animal Protocol |
For in vivo animal studies with hydrazinecarbothioamide derivatives, the following general protocol is followed: female BALB/c nude mice (6-8 weeks old, 18-22 g) are subcutaneously inoculated with 5 × 10⁶ tumor cells in the right flank. When tumors reach approximately 100-200 mm³, mice are randomized into treatment groups (n=6-8 per group). The test compound is formulated in a suitable vehicle such as 0.5% carboxymethyl cellulose or a mixture of PEG400 and saline, and administered at doses of 10, 25, and 50 mg/kg via intraperitoneal injection or oral gavage, typically once daily for 14-21 days. Tumor volumes are measured every 2-3 days using calipers and calculated as (length × width²)/2. Body weights are recorded to monitor toxicity. At the end of the study, tumors are excised, weighed, and processed for histopathological examination or molecular analysis. For anti-inflammatory or antimicrobial studies, appropriate disease models such as carrageenan-induced paw edema or bacterial infection models in mice are used with similar dosing regimens.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of N,N-diethyl-2-((6-methylpyridin-2-yl)methylene)hydrazinecarbothioamide have not been formally characterized in the literature. However, based on its physicochemical properties including a molecular weight of 250.36 g/mol, moderate lipophilicity (predicted LogP ~2.5-3.5), and presence of both hydrogen bond donor (NH) and acceptor (N, S) groups, the compound is expected to have moderate oral bioavailability. The hydrazone functionality may undergo hydrolysis under acidic conditions in the stomach, potentially limiting oral absorption. The thioamide group is susceptible to oxidative metabolism, likely mediated by cytochrome P450 enzymes, leading to the formation of sulfoxide or sulfone metabolites. Plasma protein binding is predicted to be moderate (60-80%) based on the compound's lipophilic character. The compound is expected to be primarily eliminated via hepatic metabolism, with a predicted half-life of 2-4 hours based on structural analogs. Comprehensive PK studies including intravenous and oral administration in rodents would be required to determine actual parameters such as Cmax, Tmax, AUC, and bioavailability.
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| Toxicity/Toxicokinetics |
The toxicity profile of N,N-diethyl-2-((6-methylpyridin-2-yl)methylene)hydrazinecarbothioamide has not been systematically evaluated. However, hydrazinecarbothioamide derivatives as a class require careful toxicological assessment due to the potential for hepatotoxicity and nephrotoxicity associated with the thioamide moiety. Some structurally related compounds have shown cytotoxic effects at concentrations above 50 μM in normal cell lines, indicating a potential therapeutic window. The compound should be handled with appropriate safety precautions given its status as a research chemical. Acute toxicity studies in rodents would typically involve single-dose administration at escalating doses (50-2000 mg/kg) to determine the LD50, with observation for 14 days. Sub-chronic toxicity studies would involve daily dosing for 28 days with histopathological examination of major organs. The hydrazone group may raise concerns regarding mutagenicity, as hydrazine derivatives are known to be genotoxic in some cases; thus, Ames testing for mutagenicity would be recommended prior to any therapeutic development.
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| Additional Infomation |
As a chemical intermediate for organic synthesis, this compound is primarily used in research settings for the preparation of more complex molecules rather than as a therapeutic agent itself. It belongs to the broader class of thiosemicarbazones and hydrazinecarbothioamides, which have been extensively studied for their diverse biological activities including anticancer, antimicrobial, antiviral, and anti-inflammatory properties. The compound's molecular formula is C12H18N4S with a purity of ≥98%. It exists as a solid at room temperature and should be stored under appropriate conditions to maintain stability. Future research directions could include exploring its metal-chelating properties, investigating its potential as an enzyme inhibitor, and optimizing its pharmacokinetic properties through structural modifications to develop more drug-like analogs with improved potency and selectivity.
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| Molecular Formula |
C12H18N4S
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| Molecular Weight |
250.363120555878
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| Exact Mass |
250.125
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| CAS # |
210700-64-4
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| PubChem CID |
146158031
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
263
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN(CC)C(=S)NN=CC1=CC=CC(=N1)C
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| InChi Key |
AXTATRPIRYPVLG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H18N4S/c1-4-16(5-2)12(17)15-13-9-11-8-6-7-10(3)14-11/h6-9H,4-5H2,1-3H3,(H,15,17)
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| Chemical Name |
1,1-diethyl-3-[(6-methylpyridin-2-yl)methylideneamino]thiourea
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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 | 3.9942 mL | 19.9712 mL | 39.9425 mL | |
| 5 mM | 0.7988 mL | 3.9942 mL | 7.9885 mL | |
| 10 mM | 0.3994 mL | 1.9971 mL | 3.9942 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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