| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| 2g |
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| Targets |
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)-1H-indole does not have a defined biological or pharmacological target. As a chemical intermediate, it is not known to interact with specific receptors, enzymes, or cellular pathways in a therapeutic context. Its utility lies in its chemical structure as a scaffold for the synthesis of more complex molecules with potential biological activity. It is not a pharmacologically active agent itself.
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| ln Vitro |
The compound does not exhibit significant in vitro biological activity relevant to pharmacology. It is not known to inhibit specific enzymes, modulate receptor activity, or affect cellular signaling pathways. Its primary applications are in organic synthesis and medicinal chemistry as an intermediate. In vitro studies would focus on its chemical properties and reactivity rather than pharmacological activity.
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| ln Vivo |
The compound is not a therapeutic agent and does not have in vivo pharmacological activity. It is not administered to animals for therapeutic purposes. Its in vivo effects, if any, would be related to its use as a chemical intermediate and would be primarily toxicological in nature. It is not used in animal models for studying disease or therapeutic efficacy.
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| Enzyme Assay |
In vitro assays for this compound are primarily related to its chemical properties and use as an intermediate in synthesis. Characterization techniques include NMR spectroscopy, mass spectrometry, and HPLC to confirm structure and purity. Reactivity studies may be performed to explore its utility in various chemical transformations. Safety assessment may include cytotoxicity assays using mammalian cell lines to assess potential toxicity.
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| Cell Assay |
Cell-based assays for this compound are not typically performed as it is not a pharmaceutical agent. If conducted, they would assess its potential for cytotoxicity and irritation rather than therapeutic activity. Human cell lines could be exposed to the compound, and cell viability would be measured. However, such assays are not standard for this compound.
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| Animal Protocol |
In vivo animal studies for this compound are primarily toxicological and conducted according to regulatory guidelines for research chemicals. Acute oral toxicity studies involve administering the compound to rats and monitoring for mortality and clinical signs. Subchronic studies involve repeated administration and histopathological examination of organs. However, specific protocols are not widely available as this is a research intermediate.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic properties of this compound, such as half-life and bioavailability, have not been characterized as it is not a therapeutic agent. As a small lipophilic molecule, it would be expected to be absorbed and distributed to tissues, metabolized, and excreted. Its chemical properties are well-documented for synthetic applications.
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| Toxicity/Toxicokinetics |
The compound is classified as a research chemical with potential toxicity. It may cause skin, eye, and respiratory tract irritation. It is not intended for human or veterinary therapeutic use. Proper handling procedures should be followed, including the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)-1H-indole is a synthetic small molecule used as a building block or intermediate in medicinal chemistry. It has a molecular formula of C₁₈H₁₁Cl₂N₃O₂S and a molecular weight of 404.27 g/mol. The compound is not a pharmaceutical agent and does not have therapeutic applications. This compound is for research and industrial use only.
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| Molecular Formula |
C18H11CL2N3O2S
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|---|---|
| Molecular Weight |
404.269840478897
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| Exact Mass |
402.994
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| CAS # |
882562-40-5
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| PubChem CID |
70700794
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
650.4±65.0 °C at 760 mmHg
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| Flash Point |
347.1±34.3 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.709
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| LogP |
4.47
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
594
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=S(N1C2C(=CC=CC=2)C(C2C(Cl)=CN=C(Cl)N=2)=C1)(C1C=CC=CC=1)=O
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| InChi Key |
ZSDGZYGEBQECGY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H
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| Chemical Name |
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
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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 |
| 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 | 2.4736 mL | 12.3680 mL | 24.7359 mL | |
| 5 mM | 0.4947 mL | 2.4736 mL | 4.9472 mL | |
| 10 mM | 0.2474 mL | 1.2368 mL | 2.4736 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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