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| Targets |
STAT3 (signal transducer and activator of transcription 3). STAT3-IN-3 is a mitochondria-targeting STAT3 inhibitor that selectively inhibits STAT3 activity, blocking its role in cell proliferation, survival, and oncogenesis.
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| ln Vitro |
The phosphorylation levels of STAT1, JAK2, Src, and Erk1/2 are unaffected by STAT3-IN-3 [1]. MDA-MB-231, HCT-116, HepG2, and MCF-7 cells are inhibited from growing by STAT3-IN-3, with IC50 values of 1.43 μM, 1.89 μM, 2.88 μM, and 3.33 μM, in that order [1]. Bcl-2 and Cyclin D1 are STAT3 target genes whose expression is transcribed via STAT3-IN-3 [1]. Casein phosphate STAT3-IN-3 decreases the DNA binding activity of STAT3, and STAT3-IN-3 inhibits STAT3 [1]. STAT3-IN-3 (1-4 μM; 24 hours) detects the caspase-9, caspase-3, and PARP pathways, which results in a significant drop in mitochondrial membrane potential and an increase in reactive oxygen species [1].
STAT3-IN-3 shows potent in vitro anti-proliferative activity and induces apoptosis in breast cancer cells. At concentrations of 1-4 microM for 24 hours, it increases ROS production and remarkably reduces mitochondrial membrane potential to induce the mitochondrial apoptotic pathway. |
| ln Vivo |
STAT3-IN-3 (10mg/kg -20mg/kg; intraperitoneal injection; once daily; for 14 days) possesses anti-tumor activity that is effective against the growth of 4T1 breast cancers at entry [1].
In vivo, STAT3-IN-3 has been studied in animal models at doses of 10-20 mg/kg administered intraperitoneally on a daily basis. It demonstrates anticancer activity through mitochondrial targeting and STAT3 inhibition, leading to tumor growth suppression. |
| Enzyme Assay |
STAT3 biochemical activity is typically measured using a fluorescence polarization or ELISA-based assay. Recombinant STAT3 protein is incubated with a fluorescently labeled DNA probe or peptide substrate in the presence of serial dilutions of test compound. Binding inhibition is quantified, and IC₅0 values are calculated from dose-response curves.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: MDA -MB-231 cells, HCT-116 cells, HepG2 cells, MCF-7 cells Tested Concentrations: MTT assay Incubation Duration: 48 hrs (hours) Experimental Results: demonstrated anti-proliferative activity. Apoptosis analysis [1] Cell Types: MDA-MB-231 Cell Tested Concentrations: 0 μM, 1 μM, 2 μM, 4 μM Incubation Duration: 24 hrs (hours) Experimental Results: Dose-dependent induction of apoptosis in MDA-MB-231 cells, and Apoptosis rates. Western Blot Analysis[1] Cell Types: MDA-MB-231 Cell Tested Concentrations: 0 μM, 1 μM, 2 μM, 4 μM Incubation Duration: 24 hrs (hours) Experimental Results: Induction of caspase-9, caspase-3 and PARP cleavage. Cancer cell lines (e.g., breast cancer cells) are treated with STAT3-IN-3 at various concentrations (1-4 microM) for 24 hours. ROS production is measured using fluorescent probes, and mitochondrial membrane potential is assessed using JC-1 staining. Apoptosis is evaluated by caspase-3/7 activation and Annexin V staining. Cell viability is assessed using MTT or CellTiter-Glo assays. |
| Animal Protocol |
Animal/Disease Models: Adult female balb/c (Bagg ALBino) mouse (6 weeks old) [1]
Doses: 10 mg/kg, 20 mg/kg Route of Administration: intraperitoneal (ip) injection, one time/day for 14 days Experimental Results: Dramatically inhibited tumor volume . Mice bearing tumor xenografts are administered STAT3-IN-3 at 10-20 mg/kg via intraperitoneal injection on a daily schedule. Tumor growth is monitored by caliper measurements. Tumors are harvested for pharmacodynamic analysis of STAT3 inhibition, apoptosis markers, and mitochondrial function. Efficacy is determined by tumor growth inhibition and survival extension. |
| ADME/Pharmacokinetics |
STAT3-IN-3 has a molecular weight of 600.48 g/mol and formula C2₇H2₆BrN3O₆S. Standard PK parameters (half-life, Cmax, AUC, clearance, volume of distribution) would be determined in rodent studies following IV and IP administration. The compound is formulated in suitable vehicles containing DMSO and co-solvents for in vivo administration.
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| Toxicity/Toxicokinetics |
Toxicology data for STAT3-IN-3 are not publicly available. Standard preclinical safety assessment would include cytotoxicity profiling, hERG channel inhibition testing, and repeat-dose toxicology studies in rodents to determine maximum tolerated dose and identify potential target organs of toxicity.
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| References | |
| Additional Infomation |
STAT3-IN-3 is a research compound for cancer studies. It is not clinically approved. The compound's mitochondria-targeting mechanism provides a unique approach to STAT3 inhibition. STAT3-IN-3 is useful for studying the role of STAT3 in cancer cell metabolism, apoptosis, and mitochondrial function, and for developing novel anticancer therapies.
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| Molecular Formula |
C27H26BRN3O6S
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| Molecular Weight |
600.480844974518
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| Exact Mass |
599.072
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| CAS # |
2361304-26-7
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| PubChem CID |
138454793
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
38
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| Complexity |
1140
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1=CC=CC2=C1C=C(C(N1CCN(C(C3C(=O)OC4C=C(C=CC=4C=3)N(CC)CC)=O)CC1)=O)S2(=O)=O
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| InChi Key |
LEVMMUZFAXTJOJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H26BrN3O6S/c1-3-29(4-2)18-9-8-17-14-20(27(34)37-22(17)15-18)25(32)30-10-12-31(13-11-30)26(33)24-16-19-21(28)6-5-7-23(19)38(24,35)36/h5-9,14-16H,3-4,10-13H2,1-2H3
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| Chemical Name |
3-(4-(4-bromo-1,1-dioxidocinnamoyl)piperazine-1-carbonyl)-7-(diethylamino)-2H-chromen-2-one
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| Synonyms |
STAT3 IN 3 STAT3 IN-3STAT3-IN-3 STAT3-IN 3
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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 : ~5 mg/mL (~8.33 mM)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6653 mL | 8.3267 mL | 16.6533 mL | |
| 5 mM | 0.3331 mL | 1.6653 mL | 3.3307 mL | |
| 10 mM | 0.1665 mL | 0.8327 mL | 1.6653 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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