| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Botulinum neurotoxin type A light chain (BoNTA LC), the catalytic domain responsible for SNARE protein cleavage.
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|---|---|
| ln Vitro |
INVIVO-3033 inhibits BoNTA LC with an IC50 of 0.9 μM. By inhibiting the light chain protease activity, it prevents cleavage of SNAP-25, a SNARE protein essential for neurotransmitter release. Detailed enzymatic activity data are available in primary publications.
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| ln Vivo |
INVIVO-3033 inhibits BoNTA LC activity in cell-based assays, preventing SNAP-25 cleavage and thereby protecting neuronal cells from botulinum toxin-induced paralysis. The compound is used to study botulinum toxin pathogenesis and to identify potential therapeutic agents for botulism.
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| Enzyme Assay |
BoNTA LC protease activity is measured using fluorogenic peptide substrates that mimic the SNAP-25 cleavage site. Recombinant BoNTA LC is incubated with substrate and varying concentrations of INVIVO-3033. The cleavage of the peptide is monitored by fluorescence or HPLC to determine IC50 values.
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| Cell Assay |
Neuronal cell lines or primary neurons are treated with BoNTA LC (via transfection or toxin exposure) in the presence or absence of INVIVO-3033. SNAP-25 cleavage is assessed by Western blot. Cell viability and neurotransmitter release are measured to evaluate compound efficacy.
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| Animal Protocol |
INVIVO-3033 is evaluated in mouse models of botulism. Mice are challenged with botulinum toxin and treated with INVIVO-3033 via intraperitoneal or intravenous administration. Survival, neuromuscular function, and toxin neutralization are monitored.
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| ADME/Pharmacokinetics |
INVIVO-3033 has molecular weight 400.15 and formula C₁₉H₁₅Cl₂N₅O₂. It is a solid at room temperature. As a small-molecule BoNTA LC inhibitor, it is suitable for both in vitro enzyme assays and cell-based studies. Detailed PK parameters are available in primary research publications.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for INVIVO-3033 are limited. As a botulinum toxin inhibitor, it is expected to have a favorable safety profile in the context of toxin exposure.
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| References | |
| Additional Infomation |
INVIVO-3033 is a research tool for studying botulinum neurotoxin biology and developing therapeutic countermeasures for botulism. Its mechanism involves direct inhibition of BoNTA LC protease activity, preventing SNAP-25 cleavage and neurotransmitter blockade. No clinical trials or approved indications exist.
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| Molecular Formula |
C23H20N4O3
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|---|---|
| Molecular Weight |
400.43
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| Exact Mass |
400.153
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| CAS # |
694443-03-3
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| PubChem CID |
2944140
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| Appearance |
Light yellow to orange solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
633.9±50.0 °C at 760 mmHg
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| Flash Point |
337.2±30.1 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.717
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| LogP |
4.39
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
585
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC1=C2N=C(C)C=CC2=CC=C1C(NC3=NC=CC(C)=C3)C4=CC=CC=C4[N+]([O-])=O
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| InChi Key |
VXPGAZJVEWWXED-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H20N4O3/c1-14-11-12-24-20(13-14)26-22(17-5-3-4-6-19(17)27(29)30)18-10-9-16-8-7-15(2)25-21(16)23(18)28/h3-13,22,28H,1-2H3,(H,24,26)
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| Chemical Name |
2-methyl-7-[[(4-methylpyridin-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol
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| Synonyms |
INVIVO 3033; INVIVO3033; INVIVO-3033
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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 : ~100 mg/mL (~249.73 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.24 mM) (saturation unknown) 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.
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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4973 mL | 12.4866 mL | 24.9732 mL | |
| 5 mM | 0.4995 mL | 2.4973 mL | 4.9946 mL | |
| 10 mM | 0.2497 mL | 1.2487 mL | 2.4973 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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