| Size | Price | Stock | Qty |
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| Targets |
Target: ATG7 (autophagy-related protein 7, IC50 = 0.089 microM). ATG7 is an E1-like activating enzyme that plays a critical role in the formation of autophagosomes, essential for the initiation of the autophagy pathway. By inhibiting ATG7, ATG7-IN-2 disrupts autophagic flux at an early stage, preventing LC3 lipidation and autophagosome formation.
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| ln Vitro |
In vitro, ATG7-IN-2 (compound 1) is a potent ATG7 inhibitor with an IC50 of 0.089 microM in biochemical assays. It effectively suppresses the autophagy marker LC3B (LC3B-II conversion). It inhibits autophagy in various cellular models and is a valuable tool for studying autophagy modulation. No cytotoxicity data have been reported at effective concentrations.
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| ln Vivo |
No in vivo efficacy data have been published specifically for ATG7-IN-2 in animal models. As an ATG7 inhibitor, it is expected to have effects in disease models where autophagy is dysregulated, including cancer (suppressing tumor cell survival), neurodegenerative diseases (reducing autophagic stress), and pathogen clearance (enhancing microbial killing). Detailed animal studies are not publicly available.
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| Enzyme Assay |
For cell-free ATG7 activity assays: recombinant ATG7 protein (100-200 ng) is incubated with varying concentrations of ATG7-IN-2 (0-100 uM), ATP (1-2 mM), and a fluorescent or radiolabeled substrate (e.g., 35S-labeled ATG12) in assay buffer (50 mM Tris-HCl pH 7.5, 5 mM MgCl2, 1 mM DTT) at 37degC for 30-60 min. The reaction is stopped by adding SDS sample buffer, and the formation of ATG12-ATG5 conjugate is analyzed by SDS-PAGE and autoradiography. IC50 is calculated from dose-response curves (0.089 microM). Alternatively, fluorescence-based assays using tagged ATG7 and ATG10 substrates are used.
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| Cell Assay |
For cell-based assays: cancer cell lines (e.g., HeLa, MCF7, A549, HCT116) are seeded in 6- or 96-well plates and treated with ATG7-IN-2 (0.1-100 uM, 24-72 h). Autophagy inhibition is assessed by: 1) Western blot for LC3B-II conversion and p62/SQSTM1 accumulation; 2) immunofluorescence for LC3 puncta formation; 3) flow cytometry using Cyto-ID autophagy dye. Cell viability is measured by MTT or CellTiter-Glo. Autophagic flux is measured using tandem fluorescent LC3 reporters (mCherry-GFP-LC3) to monitor autophagosome-lysosome fusion.
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| Animal Protocol |
For in vivo animal studies: potential protocol involves xenograft mouse models (e.g., HeLa or A549 tumors) or cancer cell line-derived xenografts. ATG7-IN-2 is formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline and administered intraperitoneally or intravenously at doses of 20-100 mg/kg daily for 2-4 weeks. Tumor volume is measured by calipers. Tumor tissues are harvested for Western blot analysis of LC3B-II, p62, and ATG7 target engagement. For neurodegenerative disease models (e.g., Tauopathy, Huntington's disease), the compound would be administered to assess effects on autophagic clearance of protein aggregates.
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| ADME/Pharmacokinetics |
No PK data are available for ATG7-IN-2. For a small molecule ATG7 inhibitor (MW 376.35, LogP ~0.9 based on structure), expected PK in rodents after IP administration: moderate plasma exposure, Tmax 0.5-1 h, plasma half-life 2-4 h. The compound is soluble in DMSO. In vivo formulation: 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline. Oral bioavailability is likely moderate. Brain penetration is uncertain. The compound is suitable for research use only.
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for ATG7-IN-2. ATG7 is essential for autophagy, and its inhibition may cause toxicity in tissues with high autophagic turnover, including liver, kidney, neurons, and immune cells. ATG7 knockout mice are neonatal lethal, but acute pharmacological inhibition in adults may be tolerated. The compound is for research use only and not for human consumption.
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| References | |
| Additional Infomation |
ATG7-IN-2 is a research compound not yet approved for clinical use. It is a valuable chemical probe for studying the role of ATG7 and autophagy in various biological processes and disease states. It has potential applications in cancer research (blocking autophagy to overcome chemoresistance), neurodegenerative diseases (Alzheimer's, Parkinson's, Huntington's), infectious diseases (enhancing pathogen clearance), and metabolic disorders. It is a key tool for validating ATG7 as a therapeutic target.
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| Molecular Formula |
C11H16N6O7S
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|---|---|
| Molecular Weight |
376.345740318298
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| Exact Mass |
376.08
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| CAS # |
2226227-75-2
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| PubChem CID |
134501092
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| Appearance |
White to off-white solid powder
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| LogP |
-2.6
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
576
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| Defined Atom Stereocenter Count |
4
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| SMILES |
O[C@@H]1[C@@H]([C@H](O[C@H]1N1N=C(C2=C(N=CN=C12)N)OC)COS(=O)(=O)N)O
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| InChi Key |
SVHOPJCSYNTLAH-RPKMEZRRSA-N
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| InChi Code |
InChI=1S/C11H16N6O7S/c1-22-10-5-8(12)14-3-15-9(5)17(16-10)11-7(19)6(18)4(24-11)2-23-25(13,20)21/h3-4,6-7,11,18-19H,2H2,1H3,(H2,12,14,15)(H2,13,20,21)/t4-,6-,7-,11-/m1/s1
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| Chemical Name |
[(2R,3S,4R,5R)-5-(4-amino-3-methoxypyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
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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 (~265.71 mM)
H2O : ~0.5 mg/mL (~1.33 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 25 mg/mL (66.43 mM) in Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 25 mg/mL (66.43 mM) in 20% HP-β-CD in Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; Need ultrasonic and adjust pH to 4 with 1M HCl. 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 | 2.6571 mL | 13.2855 mL | 26.5710 mL | |
| 5 mM | 0.5314 mL | 2.6571 mL | 5.3142 mL | |
| 10 mM | 0.2657 mL | 1.3286 mL | 2.6571 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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