| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Chitinase-IN-1 targets insect chitinases and N-acetylhexosaminidases, enzymes crucial for the degradation of chitin—a major component of insect exoskeletons. By inhibiting these enzymes, the compound disrupts chitin degradation and insect development. The compound shows selectivity for insect enzymes over mammalian and plant N-acetylhexosaminidases. This selectivity makes it valuable as an insecticide with potentially reduced off-target effects. At 50 µM and 20 µM, inhibition percentages are 75% and 67% for chitinase and N-acetylhexosaminidase, respectively.
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| ln Vitro |
In vitro studies have demonstrated that Chitinase-IN-1 inhibits insect chitinase and N-acetylhexosaminidase activities. At 50 µM, it inhibits chitinase by 75%, and at 20 µM, it inhibits N-acetylhexosaminidase by 67%. The compound does not inhibit mammalian or plant N-acetylhexosaminidases, demonstrating its selectivity. These in vitro findings support its applications as an insecticide and as a research tool for studying chitin metabolism.
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| ln Vivo |
In vivo studies of Chitinase-IN-1 are limited as the compound is primarily used as a research chemical and pesticide. As an insect chitinase inhibitor, it would be expected to have insecticidal effects in vivo by disrupting chitin degradation and insect development. Its selectivity for insect enzymes suggests it may have a favorable safety profile for non-target organisms. However, comprehensive in vivo studies specifically targeting Chitinase-IN-1 are not well documented in the available literature. The compound is intended for research use only.
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| Enzyme Assay |
In vitro enzyme assays for Chitinase-IN-1 typically involve testing its inhibitory activity against insect chitinases and N-acetylhexosaminidases. Enzyme activity is measured by monitoring the hydrolysis of chromogenic or fluorogenic substrates in the presence of varying concentrations of the compound. Inhibition percentages are determined, with reported values of 75% at 50 µM for chitinase and 67% at 20 µM for N-acetylhexosaminidase. Selectivity assays are performed against mammalian and plant enzymes to confirm specificity. All assays are performed with appropriate controls.
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| Cell Assay |
In vitro cell-based assays for Chitinase-IN-1 involve culturing insect cells to evaluate its effects on chitin metabolism. Insect cells are treated with varying concentrations of the compound and chitinase activity is measured. Cell viability is assessed using standard assays. For selectivity studies, mammalian and plant cells are treated to confirm lack of inhibition. All experiments are performed in triplicate with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for Chitinase-IN-1 would be conducted to evaluate its insecticidal activity. Insects would be exposed to the compound and mortality, development, and molting would be monitored. For selectivity studies, non-target organisms would be exposed to assess safety. Parameters assessed would include mortality rates, developmental abnormalities, and chitin content. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Chitinase-IN-1 reflect its nature as a small molecule insecticide. It has a molecular formula of C18H16N4O2S. As a small molecule, it can penetrate insect cuticles and reach target enzymes. The compound is expected to be metabolized through standard xenobiotic pathways. Its selectivity for insect enzymes over mammalian enzymes suggests it may have favorable toxicokinetic properties. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of Chitinase-IN-1 has been evaluated in the context of its use as a pesticide and research chemical. The compound shows selectivity for insect chitinases and N-acetylhexosaminidases over mammalian and plant enzymes, suggesting a favorable safety profile for non-target organisms. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. 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.
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| References |
[1]. thalimide derivative and application thereof as enzyme inhibitor and pesticide . Patent CN 103641825 A
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| Additional Infomation |
Chitinase-IN-1 (CAS# 1579991-61-9) is an insect chitinase and N-acetylhexosaminidase inhibitor with the molecular formula C18H16N4O2S. Also known as 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, it is a pesticide that inhibits chitinase and N-acetylglucosaminidase activity. At 50 µM and 20 µM, inhibition percentages are 75% and 67%, respectively. It does not inhibit mammalian or plant N-acetylhexosaminidases. It is intended for research use only.
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| Molecular Formula |
C18H16N4O2S
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|---|---|
| Molecular Weight |
352.41
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| Exact Mass |
352.099
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| CAS # |
1579991-61-9
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| PubChem CID |
86223063
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
589.5±35.0 °C at 760 mmHg
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| Flash Point |
310.3±25.9 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.694
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| LogP |
1.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
501
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C(C([H])([H])[H])=NN=C1C([H])([H])N([H])C([H])([H])C([H])([H])N1C(C2=C([H])C([H])=C([H])C3C([H])=C([H])C([H])=C(C1=O)C2=3)=O
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| InChi Key |
YHPDOCZSFWEMOD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H16N4O2S/c1-11-20-21-15(25-11)10-19-8-9-22-17(23)13-6-2-4-12-5-3-7-14(16(12)13)18(22)24/h2-7,19H,8-10H2,1H3
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| Chemical Name |
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
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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: 50 mg/mL (141.88 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (7.80 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 27.5 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: ≥ 2.75 mg/mL (7.80 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 27.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8376 mL | 14.1880 mL | 28.3760 mL | |
| 5 mM | 0.5675 mL | 2.8376 mL | 5.6752 mL | |
| 10 mM | 0.2838 mL | 1.4188 mL | 2.8376 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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