| Size | Price | Stock | Qty |
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| 10mg |
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| Other Sizes |
| Targets |
4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L. As an indole derivative, it may interact with various biological targets involved in plant physiology and metabolism. The compound's use in the synthesis of fluorescent probes indicates its ability to conjugate with biomolecules for detection purposes. The indole core is a common scaffold in bioactive molecules, suggesting potential interactions with biological receptors or enzymes. The compound's hydroxyl and formyl groups provide functionality for chemical modifications and interactions. Further research is needed to identify its specific molecular targets.
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| ln Vitro |
In vitro studies of 4-Hydroxy-1H-indole-3-carbaldehyde have focused on its role as a plant metabolite and its use in fluorescent probe synthesis. The compound has been isolated from Capparis spinosa L. fruit aqueous extract and its phytochemical properties have been characterized. Its anti-inflammatory effects have been studied in the context of caper fruit extract. The compound's solubility in DMSO (9.09 mg/mL, 56.40 mM) supports its use in in vitro assays. These in vitro findings provide foundational data for understanding the compound's properties and its applications in fluorescence imaging and phytochemical research.
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| ln Vivo |
In vivo studies of 4-Hydroxy-1H-indole-3-carbaldehyde are limited, as the compound is primarily used as a research chemical and plant metabolite. Its presence in Capparis spinosa L. suggests it may contribute to the pharmacological effects of caper extracts. The anti-inflammatory effects of caper fruit aqueous extract have been documented. The compound's use in fluorescent probe synthesis suggests potential applications for in vivo imaging. However, comprehensive in vivo studies specifically targeting this compound are not well documented in the available literature. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro enzyme and receptor binding assays for 4-Hydroxy-1H-indole-3-carbaldehyde are not well documented, as the compound is primarily used as a research chemical and fluorescent probe precursor. Its anti-inflammatory properties have been studied in the context of caper fruit extract. For fluorescent probe applications, the compound's reactivity and fluorescence properties are characterized using spectrofluorometry. Its purity and identity are assessed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for 4-Hydroxy-1H-indole-3-carbaldehyde involve culturing cells to evaluate its anti-inflammatory effects. Cells are treated with varying concentrations of the compound and stimulated with inflammatory stimuli. Pro-inflammatory cytokine production (e.g., TNF-α, IL-6) is measured by ELISA. For fluorescent probe applications, cells are treated with the compound or its fluorescent derivatives and imaged using fluorescence microscopy or flow cytometry. Cell viability is assessed using MTT or similar colorimetric assays to ensure that observed effects are not due to cytotoxicity. All experiments are performed in triplicate with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for 4-Hydroxy-1H-indole-3-carbaldehyde would be conducted to evaluate its anti-inflammatory and potential other biological activities. For anti-inflammatory studies, animals with induced inflammation would be treated with the compound and inflammatory markers measured. For imaging studies, animals would be administered fluorescent derivatives and fluorescence signals monitored using in vivo imaging systems. Parameters assessed would include body weight, organ weights, inflammatory markers, and histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 4-Hydroxy-1H-indole-3-carbaldehyde reflect its nature as a small indole compound. It has a molecular weight of 161.16 and the molecular formula C9H7NO2. The compound is soluble in DMSO at 9.09 mg/mL (56.40 mM). It is stored at 4°C, protected from light, and stored under nitrogen. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month (protected from light, stored under nitrogen). The compound's LogP and other physicochemical properties suggest moderate hydrophilicity. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4-Hydroxy-1H-indole-3-carbaldehyde has been evaluated in the context of its use as a research chemical. The compound is a plant metabolite found in Capparis spinosa L. At research use concentrations, it is generally considered safe for laboratory applications. Proper handling procedures including use of personal protective equipment are recommended. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications. The compound should be protected from light and stored under nitrogen to maintain stability.
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| References |
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| Additional Infomation |
4-Hydroxyindole-3-carboxaldehyde is a heteroaromatic formaldehyde, a compound in which the hydrogen at the 3-position of 4-hydroxyindole is replaced by a formyl group. It is a plant metabolite, belonging to the hydroxyindole class of compounds and heteroaromatic formaldehydes. There are reports and data regarding the presence of 4-hydroxy-1H-indole-3-carboxaldehyde in Arabidopsis thaliana.
4-Hydroxy-1H-indole-3-carbaldehyde (CAS# 81779-27-3) is also known as 4-Hydroxyindole-3-carboxaldehyde. It has the molecular formula C9H7NO2 and a molecular weight of 161.16. The compound is a plant metabolite found in Capparis spinosa L. It features an indole core with a hydroxyl group at the C4 position and a formyl group at the C3 position. The compound can be used in the synthesis of fluorescent probes. Anti-inflammatory effects of caper fruit extract containing this compound have been documented. The compound is stored at 4°C, protected from light, and under nitrogen. It is intended for research use only. |
| Molecular Formula |
C9H7NO2
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|---|---|
| Molecular Weight |
161.16
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| Exact Mass |
161.048
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| CAS # |
81779-27-3
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| PubChem CID |
9815282
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| Appearance |
Yellow to brown solid
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| Density |
1.439g/cm3
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| Boiling Point |
426.28ºC at 760 mmHg
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| Flash Point |
211.607ºC
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| Index of Refraction |
1.784
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| LogP |
1.686
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
183
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=CC1C2C(=CC=CC=2O)NC=1
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| InChi Key |
QLBZIZLLMNWTHG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H
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| Chemical Name |
4-Hydroxy-1H-indole-3-carbaldehyde
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| Synonyms |
4-Hydroxy-1H-indole-3-carbaldehyde; 4-Hydroxyindole-3-carboxaldehyde
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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: 9.09 mg/mL (56.40 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.91 mg/mL (5.65 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 9.1 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 0.91 mg/mL (5.65 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 9.1 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.2050 mL | 31.0251 mL | 62.0501 mL | |
| 5 mM | 1.2410 mL | 6.2050 mL | 12.4100 mL | |
| 10 mM | 0.6205 mL | 3.1025 mL | 6.2050 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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