N%3dC(Cl)S1)
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| Other Sizes |
| Targets |
As a synthetic building block, this compound does not have a defined biological target. Its chemical utility derives from the aldehyde group (enabling reductive amination, Wittig reactions, and condensation) and the chlorine substituents (enabling nucleophilic aromatic substitution or cross-coupling reactions). These functionalities make it a versatile intermediate for constructing thiazole-containing pharmaceuticals.
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| ln Vitro |
No direct in vitro biological activity data have been reported for this compound as it is a chemical intermediate. Dichlorinated thiazole carboxaldehydes are commonly used as precursors for compounds with various biological activities. The compound itself is evaluated primarily for chemical purity and its ability to undergo further synthetic transformations.
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| ln Vivo |
No in vivo pharmacological activity data have been reported for this compound. As a synthetic intermediate, it is not intended for direct administration in animal models. Its biological relevance would only emerge after conversion to drug-like molecules through subsequent synthetic steps.
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| Enzyme Assay |
Not applicable as this compound is a chemical intermediate. For related thiazole carboxaldehydes, enzyme inhibition assays involve incubating test compounds with target enzymes in appropriate buffers at physiological pH, with substrate conversion monitored by spectrophotometry or HPLC, and IC50 values calculated from dose-response curves.
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| Cell Assay |
Not applicable as this compound is a synthetic intermediate. Standard cell-based assays for thiazole derivatives involve culturing appropriate cell lines in growth media, treating with serial dilutions of test compounds for 24-72 hours, and assessing cell viability using MTT or CCK-8 assays to determine GI50 values.
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| Animal Protocol |
Not applicable as this compound has no reported in vivo studies. For related thiazole-based drug candidates, standard protocols involve oral or intravenous administration to rodents at doses determined from PK studies, with efficacy assessed in disease models using appropriate endpoints.
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| ADME/Pharmacokinetics |
No pharmacokinetic data have been reported for this compound. Based on its molecular properties (MW 182.03, C4H2Cl2NOS), it would be expected to have moderate lipophilicity. As an aldehyde, it may be metabolically unstable due to aldehyde dehydrogenase-mediated oxidation. The dichlorinated thiazole ring is metabolically stable.
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| Toxicity/Toxicokinetics |
No toxicological data have been reported for this compound. As a chlorinated heterocycle and aldehyde, it should be handled with caution. Aldehydes can be skin sensitizers and irritants. Standard safety practices include using fume hoods, gloves, and protective eyewear.
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| Additional Infomation |
This compound is a research chemical supplied for synthetic purposes and is not an approved drug. It has no clinical trial history or regulatory approval status. Its primary value is as a building block for synthesizing thiazole-containing pharmaceuticals through aldehyde functionalization and substitution reactions. Typical purity is ≥95%. Storage at room temperature is recommended.
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| Molecular Formula |
C4HCL2NOS
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|---|---|
| Molecular Weight |
182.027837514877
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| Exact Mass |
180.916
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| CAS # |
92972-48-0
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| PubChem CID |
1488672
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
307.1±45.0 °C at 760 mmHg
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| Melting Point |
−1 °C(lit.)
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| Flash Point |
139.5±28.7 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.65
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| LogP |
1.1
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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 |
1
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| Heavy Atom Count |
9
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| Complexity |
123
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=CC1=C(Cl)N=C(Cl)S1
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| InChi Key |
CFEKBKCGPASOFI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
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| Chemical Name |
2,4-dichloro-1,3-thiazole-5-carbaldehyde
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| HS Tariff Code |
2934.99.9022
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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 | 5.4936 mL | 27.4680 mL | 54.9360 mL | |
| 5 mM | 1.0987 mL | 5.4936 mL | 10.9872 mL | |
| 10 mM | 0.5494 mL | 2.7468 mL | 5.4936 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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