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| Targets |
ADTL-SA1215 targets SIRT3 (sirtuin 3), a mitochondrial NAD+-dependent deacetylase that regulates mitochondrial function and metabolism. SIRT3 deacetylates various mitochondrial proteins involved in energy metabolism, oxidative stress response, and apoptosis. Activation of SIRT3 by ADTL-SA1215 enhances mitochondrial function and promotes autophagy/mitophagy signaling. This activation leads to inhibition of proliferation and migration of triple-negative breast cancer cells. The compound is a first-in-class specific small-molecule activator of SIRT3.
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| ln Vitro |
ADTL-SA1215 demonstrates in vitro activity as a selective SIRT3 activator with SIRT3 deacetylase activity. It inhibits the proliferation and migration of human breast cancer MDA-MB-231 cells through the SIRT3-driven autophagy/mitophagy signaling pathway. The compound's activation of SIRT3 enhances mitochondrial function and promotes autophagy, leading to reduced cancer cell proliferation and migration. Further detailed IC50 values and mechanistic studies are available in the primary literature.
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| ln Vivo |
ADTL-SA1215 has demonstrated in vivo efficacy in preclinical studies. It inhibits the proliferation and migration of human breast carcinoma MDA-MB-231 cells by SIRT3-driven autophagy/mitophagy signaling pathways in vivo. The compound can be used in the study of triple-negative breast cancer. As a first-in-class specific small-molecule activator of SIRT3, it represents a novel therapeutic approach for triple-negative breast cancer. Further in vivo studies are ongoing to evaluate its efficacy and safety profile.
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| Enzyme Assay |
For SIRT3 deacetylase activity assays, purified SIRT3 enzyme is incubated with acetylated peptide substrates and NAD+ in the presence of ADTL-SA1215 at various concentrations. Deacetylase activity is measured by detecting the deacetylated product using fluorescence-based or mass spectrometry-based methods. IC50 or EC50 values are calculated from dose-response curves. For selectivity profiling, the compound is screened against other sirtuin isoforms (SIRT1, SIRT2, SIRT4-7) and related deacetylases to assess specificity for SIRT3.
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| Cell Assay |
For cellular activity studies, MDA-MB-231 human breast cancer cells are cultured in appropriate media. Cells are treated with ADTL-SA1215 at various concentrations for 24-72 hours. SIRT3 activation is assessed by measuring deacetylation of SIRT3 substrates (e.g., acetylated SOD2, acetylated IDH2) by Western blot using specific antibodies against acetylated lysine residues. Autophagy is assessed by LC3-II/LC3-I ratio and p62 levels by Western blot. Cell proliferation is measured by MTT or BrdU incorporation assays, and cell migration is assessed by wound healing or Transwell assays.
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| Animal Protocol |
For in vivo efficacy studies, immunodeficient mice bearing MDA-MB-231 tumor xenografts are administered ADTL-SA1215 orally or intraperitoneally at various doses. Tumor volume is measured twice weekly using calipers, and body weight is monitored for toxicity. At study termination, tumors are collected for histopathological analysis and assessment of SIRT3 activation, autophagy markers, and apoptosis. Pharmacokinetic studies are conducted to determine compound exposure in plasma and tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ADTL-SA1215 have been characterized in preclinical studies. The compound has a molecular weight of 657.32 and is a small molecule with potential for oral bioavailability. As a SIRT3 activator, it is designed to achieve therapeutic concentrations in target tissues. Comprehensive PK studies including bioavailability, half-life, protein binding, and tissue distribution are available in the primary literature. The compound is typically stored according to manufacturer recommendations.
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| Toxicity/Toxicokinetics |
ADTL-SA1215 is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a first-in-class specific small-molecule activator of SIRT3, it modulates autophagy in triple-negative breast cancer. The compound inhibits proliferation and migration of MDA-MB-231 cells through SIRT3-driven autophagy/mitophagy signaling. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
ADTL-SA1215 is a first-in-class specific small-molecule activator of SIRT3 with molecular formula C26H29I2NO3 and molecular weight 657.32. It has SIRT3 deacetylase activity and inhibits proliferation and migration of MDA-MB-231 breast cancer cells through SIRT3-driven autophagy/mitophagy signaling. The compound is used in triple-negative breast cancer research. It is for research use only and has not been approved for clinical applications. Purity is >98% by HPLC.
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| Molecular Formula |
C26H29I2NO3
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|---|---|
| Molecular Weight |
657.32
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| Exact Mass |
657.023
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| CAS # |
782387-91-1
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| Related CAS # |
782387-91-1;35997-69-4 (HCl);
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| PubChem CID |
163323790
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| Appearance |
Light brown to brown solid powder
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| LogP |
7.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
32
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| Complexity |
588
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCCOC2=C(C=C(C(C3C4=CC=CC=C4OC=3CCCC)=O)C=C2I)I)CC1
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| InChi Key |
NKCYHTOLLMRNJO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H29I2NO3/c1-2-3-10-23-24(19-9-4-5-11-22(19)32-23)25(30)18-16-20(27)26(21(28)17-18)31-15-8-14-29-12-6-7-13-29/h4-5,9,11,16-17H,2-3,6-8,10,12-15H2,1H3
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| Chemical Name |
(2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone
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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 (152.13 mM )
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (1.90 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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. Solubility in Formulation 2: 1.25 mg/mL (1.90 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (1.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5213 mL | 7.6066 mL | 15.2133 mL | |
| 5 mM | 0.3043 mL | 1.5213 mL | 3.0427 mL | |
| 10 mM | 0.1521 mL | 0.7607 mL | 1.5213 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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