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| Other Sizes |
| Targets |
7-Nitroindole has been used in the synthesis of protein kinase and inosine monophosphate inhibitors, beta3 agonists, and CCK-1 receptor modulators. As a synthetic intermediate, it does not have specific biological targets. The indole scaffold is a privileged structure in medicinal chemistry, and the nitro group at the 7-position provides a handle for further functionalization. Derivatives of 7-nitroindole may interact with various kinases, receptors, and enzymes. The compound's nitro group can be reduced to an amine, enabling the synthesis of diverse analogs with potential biological activities.
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| ln Vitro |
In vitro, 7-nitroindole is used as a biochemical reagent and organic compound for biomedical research. It is a reagent used in chemical synthesis and has been used in the synthesis of protein kinase inhibitors, inosine monophosphate inhibitors, beta3 agonists, and CCK-1 receptor modulators. Cellular assays are typically performed on the final compounds synthesized from this building block. The compound's indole scaffold allows for various chemical transformations, making it valuable for drug discovery and medicinal chemistry.
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| ln Vivo |
In vivo data for 7-nitroindole 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, protein kinase inhibitors and other bioactive compounds synthesized using this building block have been investigated for their therapeutic potential. The compound's primary value lies in its use as a synthetic intermediate for preparing compounds that may subsequently be evaluated in animal models. Specific in vivo data for the parent compound is not available.
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| Enzyme Assay |
In vitro enzyme assays for 7-nitroindole are not typically performed, as it is a synthetic intermediate. The compound is used as a building block in the synthesis of protein kinase inhibitors, inosine monophosphate inhibitors, beta3 agonists, and CCK-1 receptor modulators. A typical assay involves using the compound in chemical reactions to prepare final compounds. The compound is dissolved in organic solvents such as DMSO or ethanol. Enzyme inhibition assays with purified kinases or other targets can be performed to evaluate the activity of the final synthesized compounds. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for 7-nitroindole derivatives typically evaluate their biological activity. A standard protocol involves culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of synthesized compounds for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or SRB assays. For kinase inhibitors, phosphorylation of downstream targets is evaluated by Western blot. For receptor modulators, signaling assays (e.g., calcium flux, cAMP levels) are performed. IC₅₀ or EC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for 7-nitroindole are not standard, as it is a synthetic intermediate 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 would typically be conducted on the final protein kinase inhibitors or other compounds synthesized using this building block. These studies would evaluate efficacy, pharmacokinetics, and safety in appropriate animal models. The compound's primary value lies in its use as a synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 7-nitroindole is limited, as it is primarily a research reagent. The compound has a molecular weight of 162.15 g/mol and a molecular formula of C₈H₆N₂O₂. It is a solid at room temperature with a melting point of 94-98°C. It is stored as a powder at room temperature. As a nitroindole, it may undergo metabolic reduction of the nitro group to an amine and oxidation of the indole ring. Specific ADME data is not available.
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| Toxicity/Toxicokinetics |
7-Nitroindole 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 |
7-Nitroindole (CAS 6960-42-5) is a biochemical reagent with the molecular formula C₈H₆N₂O₂. It is a reagent used in chemical synthesis and has been used in the synthesis of protein kinase inhibitors, inosine monophosphate inhibitors, beta3 agonists, and CCK-1 receptor modulators. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It 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.
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| Molecular Formula |
C8H6N2O2
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|---|---|
| Molecular Weight |
162.15
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| Exact Mass |
162.042
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| CAS # |
6960-42-5
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| PubChem CID |
23396
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| Appearance |
Light yellow to green yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
362.6±15.0 °C at 760 mmHg
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| Melting Point |
94-98 °C(lit.)
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| Flash Point |
173.1±20.4 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.723
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| LogP |
2.63
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
190
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[O-][N+](C1=C([H])C([H])=C([H])C2C([H])=C([H])N([H])C=21)=O
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| InChi Key |
LZJGQIVWUKFTRD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H
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| Chemical Name |
7-nitro-1H-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 |
| 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 | 6.1671 mL | 30.8356 mL | 61.6713 mL | |
| 5 mM | 1.2334 mL | 6.1671 mL | 12.3343 mL | |
| 10 mM | 0.6167 mL | 3.0836 mL | 6.1671 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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