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| Targets |
The primary targets of 4-chloro-7-azaindole are believed to be various kinases, including Janus kinase. The unique structure of 7-azaindole allows it to interact with a wide range of biological targets. The compound has been shown to have significant cytotoxicity against cancer cells in vitro by binding to DNA, preventing the synthesis of new DNA strands and leading to cell death. The chlorine atom allows for further functionalization via cross-coupling reactions, enabling structure-activity relationship studies in drug discovery. The compound is also used in studies on receptor modulation and enzyme inhibition.
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| ln Vitro |
In vitro, 4-chloro-7-azaindole has been shown to have significant cytotoxicity against cancer cells. It inhibits the growth of cancer cells by binding to their DNA, preventing the synthesis of new DNA strands and leading to cell death. The compound is used in the development of kinase inhibitors targeting protein-ligand interactions. It is also employed in studies on receptor modulation and enzyme inhibition. Cellular assays typically evaluate its anticancer activity, kinase inhibition, or effects on cell proliferation. The compound's ability to act as a blue emitter makes it valuable in the design of organic light-emitting diodes.
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| ln Vivo |
In vivo data for 4-chloro-7-azaindole is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary applications. However, kinase inhibitors and other therapeutics developed from this scaffold have been investigated for their therapeutic potential. The compound's structural similarity to purine bases suggests potential for in vivo activity when incorporated into drug molecules. Specific in vivo data for the parent compound is not available in the public literature.
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| Enzyme Assay |
In vitro enzyme assays for 4-chloro-7-azaindole typically evaluate its activity as a kinase inhibitor. A standard assay protocol involves incubating the compound with purified kinase enzymes (e.g., Janus kinase) in appropriate buffer systems containing ATP and a peptide substrate. The compound is dissolved in DMSO and diluted to working concentrations (typically 0.1 nM to 100 μM). Kinase activity is measured by quantifying phosphorylation of the substrate using radioactive or fluorescence-based methods. IC₅₀ values are calculated from dose-response curves. The compound's binding to kinases can also be evaluated using competitive binding assays.
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| Cell Assay |
Cellular assays for 4-chloro-7-azaindole typically evaluate its anticancer activity and kinase inhibition. A standard protocol involves culturing cancer cell lines (e.g., HeLa, MCF-7) in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or SRB assays. Apoptosis and cell cycle analysis can be performed using flow cytometry. Kinase inhibition is evaluated by measuring phosphorylation of downstream targets by Western blot. IC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for 4-chloro-7-azaindole are not standard, as it is a research reagent rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies involving this compound would typically be conducted on the final kinase inhibitors or therapeutic agents synthesized using this scaffold rather than on the scaffold itself. The compound's primary value lies in its use as a building block for drug discovery.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-chloro-7-azaindole is limited, as it is primarily a research reagent. The compound has a molecular weight of 152.58 g/mol. It is stored as a solid at room temperature. As an azaindole, the compound may have moderate lipophilicity and potential for metabolic clearance through cytochrome P450-mediated oxidation. The chlorine substituent may influence metabolic stability. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-chloro-7-azaindole is limited, as it is primarily a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
4-Chloro-7-azaindole (CAS 55052-28-3) is a biochemical reagent with the molecular formula C₇H₅ClN₂. It belongs to the azaindole class and is used in the development of kinase inhibitors and other therapeutics. The compound has shown significant cytotoxicity against cancer cells in vitro. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. The compound is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and chemical synthesis.
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| Molecular Formula |
C7H5CLN2
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|---|---|
| Molecular Weight |
152.58
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| Exact Mass |
152.014
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| CAS # |
55052-28-3
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| PubChem CID |
11389493
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Melting Point |
174-176ºC
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| Index of Refraction |
1.703
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| LogP |
2.52
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
10
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| Complexity |
129
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])N=C2C=1C([H])=C([H])N2[H]
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| InChi Key |
HNTZVGMWXCFCTA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
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| Chemical Name |
4-chloro-1H-pyrrolo[2,3-b]pyridine
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5539 mL | 32.7697 mL | 65.5394 mL | |
| 5 mM | 1.3108 mL | 6.5539 mL | 13.1079 mL | |
| 10 mM | 0.6554 mL | 3.2770 mL | 6.5539 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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