| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
| Targets |
alpha-Amylase-IN-3 targets alpha-amylase (IC50=18.04 uM), acetylcholinesterase (AChE, IC50=21.04 uM), and butyrylcholinesterase (BChE, IC50=22.2 uM). It also has free radical scavenging activity, targeting DPPH (IC50=16.04 uM) and ABTS (IC50=16.99 uM) radicals.
|
|---|---|
| ln Vitro |
In cell-free enzyme assays, alpha-Amylase-IN-3 inhibits alpha-amylase activity (IC50=18.04 uM) in a non-competitive manner. It also inhibits AChE and BChE with IC50 values of 21.04 uM and 22.2 uM, respectively. The compound exhibits potent free radical (DPPH and ABTS) scavenging activity, indicating antioxidant properties.
|
| ln Vivo |
In vivo activity has not been extensively documented. Based on its multi-target profile, it may have potential benefits in animal models of diabetes (by reducing postprandial blood glucose via alpha-amylase inhibition) and neurodegeneration (by increasing acetylcholine levels via AChE/BChE inhibition). Further in vivo studies are needed.
|
| Enzyme Assay |
alpha-Amylase inhibition assay: alpha-Amylase enzyme is incubated with starch substrate and varying concentrations of alpha-Amylase-IN-3 (0.5-500 uM) at 37degC for 10-15 min. The reaction is stopped with DNS reagent (3,5-dinitrosalicylic acid) and boiled. Absorbance is measured at 540 nm. AChE/BChE inhibition assay: Enzyme is incubated with acetylthiocholine or butyrylthiocholine and DTNB in the presence of alpha-Amylase-IN-3. Absorbance at 412 nm is monitored. IC50 values are calculated from dose-response curves.
|
| Cell Assay |
Pancreatic acinar cells (e.g., AR42J) or intestinal epithelial cells (e.g., Caco-2) are treated with alpha-Amylase-IN-3 (5-200 uM) prior to addition of starch. Glucose release is measured after 2 hours. For AChE/BChE activity, neuronal cells (e.g., SH-SY5Y) are treated with alpha-Amylase-IN-3 (10-100 uM) for 2 hours before lysate collection. Cell viability is assessed by MTT. ROS levels are measured using DCFH-DA probe.
|
| Animal Protocol |
Detailed in vivo animal protocols are not available. Potential protocols: For diabetes studies, alpha-Amylase-IN-3 (10-50 mg/kg, oral) is administered to starch-loaded rats or mice. Blood glucose levels are measured at 0, 30, 60, 90, and 120 min. For neurodegeneration, the compound (5-20 mg/kg, i.p.) is administered to rodents in cognitive impairment or cholinesterase inhibitor models, and behavioral tests (Morris water maze) are performed.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are limited. Molecular weight: 267.24; formula: C15H9NO4. Solubility: DMSO 8 mg/mL (29.94 mM). Storage: powder at -20degC for 3 years; in solvent at -80degC for 1 year. For in vivo use, DMSO:PEG300:Tween80:saline formulations are recommended.
|
| Toxicity/Toxicokinetics |
Standard safety precautions for research chemicals apply. alpha-Amylase-IN-3 is for research use only, not for human therapy. Avoid inhalation, ingestion, and skin contact. Use personal protective equipment and work in a well-ventilated area.
|
| References | |
| Additional Infomation |
This is a research-grade multi-target inhibitor, not an approved drug. It is a benzofuran-2-yl(4-nitrophenyl)methanone derivative used to study the relationship between diabetes, oxidative stress, and neurodegeneration. Purity: ≥98%. Also known as Compound 4.
|
| Molecular Formula |
C15H9NO4
|
|---|---|
| Molecular Weight |
267.24
|
| Exact Mass |
267.053
|
| CAS # |
93944-58-2
|
| PubChem CID |
921579
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.8
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
20
|
| Complexity |
384
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1C=CC=C2C=C(C(C3=CC=C(N(=O)=O)C=C3)=O)OC=12
|
| InChi Key |
XJQLOIGEZXCUND-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H9NO4/c17-15(10-5-7-12(8-6-10)16(18)19)14-9-11-3-1-2-4-13(11)20-14/h1-9H
|
| Chemical Name |
1-benzofuran-2-yl-(4-nitrophenyl)methanone
|
| 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: ~11.1 mg/mL (~41.6 mM; with ultrasonication and warming by heating to 80°C)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.11 mg/mL (4.15 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (11.1 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: 1.11 mg/mL (4.15 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (11.1 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.7420 mL | 18.7098 mL | 37.4195 mL | |
| 5 mM | 0.7484 mL | 3.7420 mL | 7.4839 mL | |
| 10 mM | 0.3742 mL | 1.8710 mL | 3.7420 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
