| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
Insect chitinase and N-acetylhexosaminidase. Chitinase-IN-2 is an insect chitinase and N-acetyl hexosaminidase inhibitor and pesticide. Chitinases are enzymes that hydrolyze chitin, a major component of insect exoskeletons and fungal cell walls. By inhibiting chitinase activity, the compound disrupts chitin metabolism, leading to insecticidal effects. It is also studied for its role in modulating inflammatory responses, as human chitinases are implicated in asthma and other inflammatory diseases.
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| ln Vitro |
In vitro, Chitinase-IN-2 functions as a potent inhibitor of insect chitinase and N-acetylhexosaminidase. At 50 microM and 20 microM concentrations, the inhibitory percentages for chitinase and N-acetyl-hexosaminidase are 98% and 92%, respectively. The compound is used as a research tool to study chitin metabolism in insects and fungi. It has potential applications in antifungal, insecticidal, and antiparasitic therapies.
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| ln Vivo |
In vivo studies of Chitinase-IN-2 are primarily focused on its insecticidal activity. The compound is used as an insecticide to control insect pests by inhibiting chitinase activity and disrupting chitin metabolism. Its in vivo efficacy has been demonstrated in insect models. The compound is also studied for its potential role in modulating inflammatory responses in mammalian models.
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| Enzyme Assay |
In vitro enzyme inhibition assays for Chitinase-IN-2 measure inhibition of chitinase and N-acetylhexosaminidase activities. The assay uses purified insect chitinase or N-acetylhexosaminidase enzyme and a chromogenic or fluorogenic substrate (e.g., 4-nitrophenyl N-acetyl-beta-D-glucosaminide). The compound is serially diluted in assay buffer and pre-incubated with the enzyme. The reaction is initiated by adding substrate, and after incubation, the product is measured by absorbance or fluorescence. Inhibitory percentages are calculated at specific concentrations (50 microM and 20 microM).
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| Cell Assay |
In vitro cell-based assays for Chitinase-IN-2 are limited as the compound is primarily used as an enzyme inhibitor and insecticide. If performed, insect cell lines or fungal cultures would be used to assess the compound's effects on chitin metabolism and cell growth. The compound's insecticidal activity can be evaluated by treating insect larvae or cultured cells and monitoring mortality or growth inhibition.
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| Animal Protocol |
In vivo animal studies for Chitinase-IN-2 are conducted in insect models to evaluate its insecticidal activity. Insects (e.g., agricultural pests) are exposed to the compound via feeding or contact, and mortality rates are recorded. For mammalian studies, the compound is administered to rodents to assess its effects on chitinase activity and inflammatory responses. Tissue samples are collected for histology and biomarker analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Chitinase-IN-2 are characteristic of small-molecule insecticides. With a molecular weight of 395.48, the compound is soluble in DMSO at ≥53 mg/mL. It is stored as a powder at -20degC for up to 3 years or at 4degC for up to 2 years. In solution, it should be stored at -80degC for up to 6 months or at -20degC for up to 1 month. Standard pharmacokinetic parameters can be determined in preclinical species.
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| Toxicity/Toxicokinetics |
Chitinase-IN-2 is intended for research use only and is not for human therapeutic use. Standard safety precautions for handling chemical compounds apply. The compound is not approved for clinical use.
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| Additional Infomation |
Chitinase-IN-2 is a research-grade synthetic small-molecule inhibitor of insect chitinase and N-acetylhexosaminidase. It is described as a phthalimide derivative with pesticidal applications. At 50 microM and 20 microM concentrations, the inhibitory percentages for chitinase and N-acetyl-hexosaminidase are 98% and 92%, respectively. The compound has potential applications in antifungal, insecticidal, and antiparasitic therapies. Not approved for clinical use.
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| Molecular Formula |
C20H21N5O2S
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|---|---|
| Molecular Weight |
395.4780
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| Exact Mass |
395.141
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| CAS # |
1579991-63-1
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| Related CAS # |
Chitinase-IN-2 hydrochloride;2070014-83-2
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| PubChem CID |
86223064
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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 |
618.6±55.0 °C at 760 mmHg
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| Flash Point |
327.9±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.692
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| LogP |
1.21
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
28
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| Complexity |
603
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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])C3=C(C([H])=C([H])C(C1=O)=C32)N(C([H])([H])[H])C([H])([H])[H])=O
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| InChi Key |
MZVBLDCRQKXSHR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H21N5O2S/c1-12-22-23-17(28-12)11-21-9-10-25-19(26)14-6-4-5-13-16(24(2)3)8-7-15(18(13)14)20(25)27/h4-8,21H,9-11H2,1-3H3
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| Chemical Name |
6-(dimethylamino)-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 : ≥ 53 mg/mL (~134.01 mM)
H2O : ≥ 50 mg/mL (~126.43 mM) |
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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 | 2.5286 mL | 12.6429 mL | 25.2857 mL | |
| 5 mM | 0.5057 mL | 2.5286 mL | 5.0571 mL | |
| 10 mM | 0.2529 mL | 1.2643 mL | 2.5286 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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