Physicochemical Properties
| Molecular Formula | C35H45NO3S |
| Molecular Weight | 559.80 |
| CAS # | 3033049-16-7 |
| Appearance | Typically exists as solids at room temperature |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | STAT3 45.33 μM (Kd) |
| ln Vitro | STAT3-IN-38 (0.5-1 μM, 6 h) inhibits the phosphorylation of STAT3 in HCT116 cells and reduces the levels of STAT3 target proteins survivin and myeloid cell leukemia 1 (Mcl-1)[1]. STAT3-IN-38 (0.02-12.5 μM, 48 h) inhibits the proliferation of A549, HCT116 and HepG2 cells[1]. STAT3-IN-38 (1-5 μM, 48 h) induces apoptosis and cell cycle arrest in HCT116 cells[1]. STAT3-IN-38 (1-10 µM, 6 days) reduces the viability of human colorectal cancer organoids (CCOs)[1]. |
| Cell Assay |
Cell Cycle Analysis[1] Cell Types: HCT-116 Tested Tested Concentrations: 1, 2.5, 5 μM Incubation Duration: 48 h Experimental Results: Delayed cell cycle distribution, with a leading cell cycle arrest in G2/M phase at low Tested Tested Concentrationss and in S and G2/M phases at high Tested Tested Concentrationss. Cell Cytotoxicity Assay[1] Cell Types: A549、HCT-116、HepG2 Tested Tested Concentrations: 0.02, 0.1, 0.5, 2.5, 12.5 μM Incubation Duration: 48 h Experimental Results: Inhibited the proliferation of A549, HCT116, and HepG2 cells (IC50s = 0.93, 0.61, and 1.79 µM, respectively). Western Blot Analysis[1] Cell Types: HCT-116 Tested Tested Concentrations: 0.5, 0.75, 1 μM Incubation Duration: 6 h Experimental Results: Decreased the level of p-STAT3 at site pTyr705 in a Tested Tested Concentrations dependent manner, and the function was stronger than celastrol at 1.0 μM. Down-regulated the level of Survivin and Mcl-1. |
| References |
[1]. Synthesis and biological evaluation of celastrol derivatives as potent antitumor agents with STAT3 inhibition. Journal of enzyme inhibition and medicinal chemistry. 2022, 37(1), 236–251. |
Solubility Data
| 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 |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7864 mL | 8.9318 mL | 17.8635 mL | |
| 5 mM | 0.3573 mL | 1.7864 mL | 3.5727 mL | |
| 10 mM | 0.1786 mL | 0.8932 mL | 1.7864 mL |