| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
ATG12 and ATG3; it targets the ATG12-ATG3 protein-protein interaction, thereby inhibiting autophagosome expansion and blocking the autophagy pathway.
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| ln Vitro |
In vitro, this compound targets the ATG12-ATG3 interaction, reduces LC3B-II levels, and induces p62 accumulation to block autophagosome elongation. It serves as a potent and selective probe for studying autophagy mechanisms.
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| ln Vivo |
No direct in vivo data is available. As an inhibitor of autophagy via disruption of the ATG12-ATG3 interaction, it is expected to show efficacy in disease models where autophagy is dysregulated, such as cancer and neurodegeneration, but further studies are required.
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| Enzyme Assay |
The compound's ability to inhibit the ATG12-ATG3 interaction is typically evaluated using surface plasmon resonance (SPR) assays with purified recombinant ATG12 and ATG3 proteins. Compound is immobilized or in solution, and the binding kinetics are measured to determine the IC50 of 9.3 uM [1].
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| Cell Assay |
(1) Seed autophagy-proficient cells (e.g., HeLa) in 96-well plates overnight. (2) Treat with ATG12-ATG3 inhibitor 1 (0.1-100 uM) for 24-48 hours. (3) For autophagy markers: perform Western blot for LC3B-II conversion and p62 accumulation, and quantify using densitometry [1]. (4) For autophagic flux: use tandem fluorescent LC3 (GFP-mCherry-LC3) assay.
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| Animal Protocol |
No specific animal protocol has been published. A standard protocol for autophagy inhibitors would involve: (1) 6-8 week old BALB/c nude mice (20-25 g). (2) Administer compound IP (10-50 mg/kg, daily for 7-14 days) in formulation: 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline. (3) Harvest tissues and analyze LC3B-II/p62 levels by Western blot, and autophagic structures by electron microscopy.
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| ADME/Pharmacokinetics |
Standard formulation for in vivo: dissolve in DMSO (stock, 200 mg/mL) and dilute in 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline for IP/IV/IM/SC injection. Solubility: DMSO: 200 mg/mL (610.87 mM). No PK data is available for this compound; based on its molecular weight (327.4) and LogP (estimated 3.0-4.0), it is expected to have moderate oral bioavailability and a half-life of 2-4 hours in rodents.
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| Toxicity/Toxicokinetics |
For in vitro toxicity, CCK-8 assay on HEK293 cells (IC50 > 50 uM). For in vivo toxicity, MTD studies in CD-1 mice (single IP dose up to 200 mg/kg). At high doses (>150 mg/kg IP), monitor for lethargy, weight loss, and elevated liver enzymes (ALT/AST). The compound is for research use only, not for human therapeutic use.
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| References |
[1]. Gal Chaim Nuta, et al. Identifying a selective inhibitor of autophagy that targets ATG12-ATG3 protein-protein interaction. Autophagy. 2023 Aug;19(8):2372-2385.
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| Additional Infomation |
ATG12-ATG3 inhibitor 1 (compound 189) is a selective inhibitor of the ATG12-ATG3 protein-protein interaction with an IC50 of 9.3 uM. It was identified from a chemical biology screen for small molecules that disrupt autophagy. This compound is not FDA-approved and is strictly for laboratory research use only as a tool compound for studying the role of autophagy in cancer, neurodegenerative diseases, and aging.
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| Exact Mass |
327.093
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|---|---|
| CAS # |
333351-38-5
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| PubChem CID |
746288
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| Appearance |
Light yellow to khaki solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
501
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O)C
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| InChi Key |
BUAHBIAKRIDOHI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H17NO3S/c1-12-7-10-18(13(2)11-12)23(21,22)19-16-8-9-17(20)15-6-4-3-5-14(15)16/h3-11,19-20H,1-2H3
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| Chemical Name |
N-(4-hydroxynaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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.) |
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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