| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3-Indolyl acetate does not target a specific protein or enzyme for pharmacological intervention. Its utility is as a colorimetric substrate for esterases and as a synthetic intermediate. The compound acts as a colorimetric substrate used for differentiating esterases from various microbiological species. It is useful for the detection of esterases.
|
|---|---|
| ln Vitro |
The in vitro activity of 3-Indolyl acetate is its function as a colorimetric substrate for esterases. The compound is useful for the detection of esterases and acts as a colorimetric substrate used for differentiating esterases from various microbiological species. It is a useful synthetic intermediate for organic synthesis.
|
| ln Vivo |
No significant in vivo activity has been reported for 3-Indolyl acetate as a therapeutic agent. The compound is primarily utilized as a biochemical reagent and synthetic intermediate rather than a pharmacologically active compound.
|
| Enzyme Assay |
In vitro enzyme assays for 3-Indolyl acetate involve incubating the compound with esterase enzyme preparations. The hydrolysis of the ester bond releases indoxyl, which can be detected colorimetrically. The compound is used to differentiate esterases from various microbiological species.
|
| Cell Assay |
For in vitro cellular experiments, 3-Indolyl acetate is not typically used in cell-based assays. The compound is primarily used as a biochemical reagent for esterase detection.
|
| Animal Protocol |
In vivo animal experiments with 3-Indolyl acetate are not commonly performed, as the compound is primarily used as a biochemical reagent rather than a therapeutic candidate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-Indolyl acetate have not been characterized, as it is a research-use biochemical reagent rather than a drug candidate. The compound has a molecular weight of 175.18 g/mol and a melting point of 128-130°C. It is soluble in DMSO at 100 mg/mL and should be stored as a powder at -20°C for up to 3 years.
|
| Toxicity/Toxicokinetics |
The compound is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
|
| Additional Infomation |
Indole acetate is one of the indole compounds. It has been reported that 3-acetoxyindole is present in Strychnos cathayensis, and relevant data are available for reference.
3-Indolyl acetate is a colorimetric substrate for esterases, useful for differentiating esterases from various microbiological species. It is also a useful synthetic intermediate. The compound has no clinical or therapeutic applications. |
| Molecular Formula |
C10H9NO2
|
|---|---|
| Molecular Weight |
175.18
|
| Exact Mass |
175.063
|
| CAS # |
608-08-2
|
| PubChem CID |
11841
|
| Appearance |
Gray to gray purple solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
339.1±15.0 °C at 760 mmHg
|
| Melting Point |
128-130 °C(lit.)
|
| Flash Point |
158.9±20.4 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.634
|
| LogP |
2.01
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
13
|
| Complexity |
205
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(C([H])([H])[H])=O)C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C21
|
| InChi Key |
JBOPQACSHPPKEP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
|
| Chemical Name |
1H-indol-3-yl acetate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (570.84 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.27 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 25.0 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: ≥ 2.5 mg/mL (14.27 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7084 mL | 28.5421 mL | 57.0841 mL | |
| 5 mM | 1.1417 mL | 5.7084 mL | 11.4168 mL | |
| 10 mM | 0.5708 mL | 2.8542 mL | 5.7084 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
