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| Other Sizes |
| Targets |
3-Bromo-7-azaindole is used as a building block for kinase inhibitor synthesis. The 7-azaindole scaffold is a kinase hinge-binding pharmacophore. The compound has been shown to have anticancer activity in vitro and significant cytotoxicity against cancer cells. It is being studied as a potential drug for the treatment of cancers. The compound is also used as a key intermediate in the development of drugs targeting neurological disorders.
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| ln Vitro |
In vitro, 3-bromo-7-azaindole has been shown to have anticancer activity and significant cytotoxicity against cancer cells. The compound has been shown to be effective against human cancer cells. It is used as a synthetic compound for in vitro testing of anticancer activity. As a halogenated azaindole, it is a common building block for the construction of kinase inhibitors and other drug-like molecules through cross-coupling reactions.
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| ln Vivo |
In vivo data for 3-bromo-7-azaindole as a therapeutic agent are limited. The compound has been studied as a potential drug for the treatment of cancers, but specific in vivo pharmacokinetic and pharmacodynamic data are not well-documented. The compound's in vivo relevance is primarily through its use as a building block for kinase inhibitors and other drug candidates that are subsequently evaluated in animal models.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 3-bromo-7-azaindole is used as a building block for the synthesis of kinase inhibitors. The compound can be evaluated for binding affinity to various kinases using standard kinase assay protocols. The 7-azaindole scaffold is a known kinase hinge-binding motif. Standard assays involve incubating the compound or its derivatives with recombinant kinases and measuring inhibition of kinase activity using ATP-consumption or phosphorylation-detection methods.
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| Cell Assay |
For in vitro cell-based experiments, 3-bromo-7-azaindole is evaluated for anticancer activity against cancer cell lines. Cells are seeded in 96-well plates and treated with the compound at various concentrations (typically 0.1-100 µM) for 24-72 hours. Cell viability is assessed using MTT or resazurin-based assays. The compound has shown significant cytotoxicity against human cancer cells.
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| Animal Protocol |
In vivo animal studies using 3-bromo-7-azaindole are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For kinase inhibitors and anticancer agents derived from this building block, efficacy studies would typically be performed in mouse xenograft models of cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of tumor volume over time.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-bromo-7-azaindole as a standalone compound are not characterized in the literature. The compound has a molecular weight of 197.03 g/mol, which is within the favorable range for oral bioavailability. The compound is a solid with a melting point of 199-203°C. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
3-Bromo-7-azaindole is a research chemical and should be handled with appropriate laboratory safety precautions. As a brominated heterocyclic compound, it may cause skin and eye irritation. The compound should be stored under appropriate conditions. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment.
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| Additional Infomation |
3-Bromo-7-azaindole (3-Bromo-1H-pyrrolo[2,3-b]pyridine, CAS 74420-15-8) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for kinase inhibitor synthesis and in drug discovery. The compound combines the 7-azaindole kinase hinge-binding pharmacophore with a C3-bromo substituent. It has been shown to have anticancer activity in vitro. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C7H5BRN2
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|---|---|
| Molecular Weight |
197.03
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| Exact Mass |
195.963
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| CAS # |
74420-15-8
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| PubChem CID |
5523659
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| Appearance |
Brown to reddish brown solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
336.4ºC at 760 mmHg
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| Melting Point |
185-189ºC
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| Flash Point |
157.3ºC
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| Index of Refraction |
1.728
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| LogP |
2.8
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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 |
C1=CC2=C(N=C1)NC=C2Br
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| InChi Key |
VJDGIJDCXIEXPF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
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| Chemical Name |
3-bromo-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 Vitro) |
DMSO: ≥ 60 mg/mL (304.52 mM)
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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 | 5.0754 mL | 25.3768 mL | 50.7537 mL | |
| 5 mM | 1.0151 mL | 5.0754 mL | 10.1507 mL | |
| 10 mM | 0.5075 mL | 2.5377 mL | 5.0754 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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