| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
ATG7-IN-1 selectively inhibits ATG7, an E1-like enzyme that is essential for the initiation of autophagy. By blocking ATG7 activity, the compound disrupts the conjugation of ATG12 and LC3 proteins, which are critical steps in autophagosome formation.
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|---|---|
| ln Vitro |
In vitro, ATG7-IN-1 shows potent inhibition of recombinant His-tagged human ATG7 with an IC₅₀ of 62.0 nM. It induces autophagy in human H4 cells (IC₅₀ = 659.0 nM) and in human SKOV3 cells, with EC₅₀ values of 9400.0 nM based on NBR1 accumulation and 3000.0 nM based on p62 accumulation.
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| ln Vivo |
In vivo, ATG7-IN-1 (150 mg/kg, subcutaneous, single dose) reduces the accumulation of LC3B and NBR1, regulating the autophagy pathway in a mouse HCT-116 xenograft model. This demonstrates its ability to engage its target and modulate autophagy in vivo.
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| Enzyme Assay |
The inhibitory activity of ATG7-IN-1 is assessed using biochemical assays with recombinant His-tagged human ATG7. The compound's ability to inhibit ATG7-mediated conjugation is measured, with IC₅₀ values determined from dose-response curves.
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| Cell Assay |
Cellular assays for ATG7-IN-1 involve treating cells with the compound and measuring markers of autophagy, such as LC3B, NBR1, and p62 accumulation, by Western blotting. The compound's effects on cell viability and autophagy flux are assessed.
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| Animal Protocol |
In vivo studies are conducted in mouse xenograft models, such as HCT-116. The compound is administered subcutaneously, and its effects on autophagy markers in tumor tissues are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ATG7-IN-1 are not extensively detailed in publicly available sources. The compound is soluble in DMSO at 100 mg/mL.
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| Toxicity/Toxicokinetics |
ATG7-IN-1 is intended for research use only and is not approved for clinical use. Its toxicological profile would be evaluated in preclinical studies.
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| References | |
| Additional Infomation |
ATG7-IN-1 is a potent and selective ATG7 inhibitor used as a tool for studying the role of autophagy in various diseases, including cancer. It is available with purity >99% for research use.
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| Molecular Formula |
C17H19FN6O5S2
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|---|---|
| Molecular Weight |
470.50
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| Exact Mass |
470.084
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| CAS # |
2226229-87-2
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| PubChem CID |
134500786
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| Appearance |
White to off-white solid powder
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| LogP |
1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
732
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| Defined Atom Stereocenter Count |
3
|
| SMILES |
S(C1C=CC(C)=CC=1F)C1=NN([C@H]2C[C@H](O)[C@H](COS(=O)(=O)N)O2)C2=NC=NC(N)=C12
|
| InChi Key |
GRYCCRMITKNCNZ-GMXVVIOVSA-N
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| InChi Code |
InChI=1S/C17H19FN6O5S2/c1-8-2-3-12(9(18)4-8)30-17-14-15(19)21-7-22-16(14)24(23-17)13-5-10(25)11(29-13)6-28-31(20,26)27/h2-4,7,10-11,13,25H,5-6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,11-,13+/m0/s1
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| Chemical Name |
[(2S,3S,5R)-5-[4-amino-3-(2-fluoro-4-methylphenyl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]-3-hydroxyoxolan-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 (~212.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.31 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 DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (5.31 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.31 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 DMSO stock solution (25.0 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 | 2.1254 mL | 10.6270 mL | 21.2540 mL | |
| 5 mM | 0.4251 mL | 2.1254 mL | 4.2508 mL | |
| 10 mM | 0.2125 mL | 1.0627 mL | 2.1254 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
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