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| Other Sizes |
| Targets |
Piazthiole does not have a defined primary drug target as it is primarily a chemical reagent and solvent rather than a therapeutic agent. The benzothiadiazole core is a structural motif found in certain bioactive molecules, including some agrochemicals and pharmaceuticals. Compounds containing the benzothiadiazole scaffold have been investigated for various biological activities, including antimicrobial and anticancer properties. However, Piazthiole itself is not a drug and is not designed to bind to specific biological targets in a therapeutic context.
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| ln Vitro |
As a chemical reagent and solvent, Piazthiole is not typically evaluated for direct in vitro biological activity against specific molecular targets. The compound's primary applications are in organic synthesis and as an industrial solvent rather than in biological assays. Any biological activity observed would be incidental and likely related to general cytotoxicity or solvent effects rather than specific target engagement. The compound's utility in research is primarily chemical rather than biological in nature.
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| ln Vivo |
In vivo activity data for Piazthiole itself is not available in the published literature, as the compound is not intended for therapeutic use. Its applications as an industrial solvent and pharmaceutical intermediate mean it may be used in the synthesis of drug candidates, but the compound itself is not evaluated in animal models for pharmacological activity. The benzothiadiazole core may appear in certain agrochemicals that are tested in agricultural settings, but these are distinct from pharmaceutical applications.
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| Enzyme Assay |
Cell-free biochemical assays involving Piazthiole typically focus on its use as a reagent or solvent rather than as a biological assay compound. In organic synthesis, Piazthiole can be used as a building block for the preparation of various benzothiadiazole derivatives. A standard protocol for functionalization involves electrophilic aromatic substitution reactions, such as nitration or halogenation, under controlled conditions. The compound's reactivity is influenced by the electron-withdrawing nature of the thiadiazole ring. Product formation is monitored by TLC and characterized by NMR and mass spectrometry. The compound's purity is verified by HPLC or GC.
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| Cell Assay |
Cell-based assays are not typically performed with Piazthiole as the compound is a chemical reagent and solvent rather than a drug candidate. If evaluating the biological activity of benzothiadiazole derivatives synthesized from this compound, standard cell-based protocols would apply depending on the target indication. Cells may be treated with varying concentrations of the test compound for 24-72 hours, and viability or specific biological endpoints assessed using appropriate assays. The parent compound may be used as a control to distinguish scaffold-specific effects from those of the functionalized derivatives.
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| Animal Protocol |
In vivo studies are not typically conducted with Piazthiole itself. For drug candidates or agrochemicals containing the benzothiadiazole core synthesized from this reagent, standard in vivo efficacy studies would be performed in appropriate models. For agricultural applications, herbicidal or fungicidal activity may be tested in greenhouse or field studies on target organisms. For pharmaceutical applications, rodent models of the target disease would be used. The biological activity is attributed to the final functionalized molecule rather than the parent compound.
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| ADME/Pharmacokinetics |
As a chemical reagent and solvent rather than a drug, comprehensive pharmacokinetic data for Piazthiole is not available. The compound's physicochemical properties include a melting point of 42-47°C and a boiling point of 206°C, indicating moderate volatility. The compound is likely lipophilic due to the fused aromatic ring system. For drug molecules containing the benzothiadiazole core, PK parameters would depend on the specific functional groups and overall structure. The core itself may influence metabolic stability and protein binding.
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| Toxicity/Toxicokinetics |
Toxicological data specific to Piazthiole is limited in publicly available literature. As with all organic solvents and chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound's use as an industrial solvent suggests it may have potential toxicity upon prolonged exposure, and appropriate ventilation and personal protective equipment should be used. Specific toxicity data, including LD₅₀ values and target organ toxicity, are not readily available in public sources.
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| Additional Infomation |
Piazthiole is a research chemical and industrial reagent 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 and industrial purposes. The compound's primary value lies in its utility as a solvent and synthetic intermediate. The benzothiadiazole core is of interest in materials science for organic electronics and in agrochemical research, and Piazthiole serves as a starting material for the synthesis of various functionalized derivatives.
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| Molecular Formula |
C6H4N2S
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|---|---|
| Molecular Weight |
136.17
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| Exact Mass |
136.009
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| CAS # |
273-13-2
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| PubChem CID |
67502
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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 |
206.0±9.0 °C at 760 mmHg
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| Melting Point |
42-44 °C(lit.)
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| Flash Point |
81.4±9.1 °C
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| Vapour Pressure |
0.3±0.4 mmHg at 25°C
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| Index of Refraction |
1.705
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| LogP |
1.98
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
95.2
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1N=C2C([H])=C([H])C([H])=C([H])C2=N1
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| InChi Key |
PDQRQJVPEFGVRK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
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| Chemical Name |
2,1,3-benzothiadiazole
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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 | 7.3438 mL | 36.7188 mL | 73.4376 mL | |
| 5 mM | 1.4688 mL | 7.3438 mL | 14.6875 mL | |
| 10 mM | 0.7344 mL | 3.6719 mL | 7.3438 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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