Physicochemical Properties
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.44 |
| CAS # | 181377-06-0 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.27±0.1 g/cm3(Predicted) |
| Boiling Point | 654.8±55.0 °C(Predicted) |
| 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 | HSP90 |
| ln Vitro | Mutant p53 develops new capabilities regarding oncogenic progression but loses its original tumor suppressor function[1]. When applied to cells with p53R175H structural mutants, colletofragarone A2 (0.05–5 μM; 72 h) exhibits greater cytotoxic activity and selectivity than when applied to cells with other p53 statuses, such as DNA-contact mutants, wild-type cells, and null cells[1]. By encouraging p53 degradation, colletofragarone A2 (2 μM; 8 h) lowers the levels of mutant p53 in SK-BR-3 (p53R175H) cells[1]. Colletofragarone A2 induces the accumulation of the aggregated mutant p53 when combined with 10 μM MG-132 (2 or 4 μM; 4 h)[1]. |
| ln Vivo | In mice infected with HuCCT1 (p53R175H) cells, intratumorally administered colletofragarone A2 (0.35 mM, 100 μL; injected daily; 13 d) significantly reduces tumor cell growth[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: SK-BR-3 (p53R175H), HuCCT1 (p53R175H ), Saos-2 (p53R175H), OVCAR-3 (p53R248Q), and A549 (wild-type p53) Tested Concentrations: 0, 0.5, 1, 2, 4 μM Incubation Duration: 4 hrs (hours) Experimental Results: diminished the mutant p53R175H levels in SK -BR-3 and HuCCT1 cells in a dose-dependent manner. Western Blot Analysis[1] Cell Types: SK-BR-3 (p53R175H) cells Tested Concentrations: 2 μM, 4 μM (with 10 μM MG-132, respectively) Incubation Duration: 4 hrs (hours) Experimental Results: Promoted the proteasome-mediated degradation of mutant p53 and the accumulation of precipitated mutant p53. Cell Viability Assay[1] Cell Types: SK-BR-3 (p53R175H), HuCCT1 (p53R175H), OVCAR-3 ( p53R248Q), and A549 (wild-type p53) cells Tested Concentrations: 0.05-5 μM Incubation Duration: 72 hrs (hours) Experimental Results: diminished the level of p53 and demonstrated high selectivity and more cytotoxic activity on cells with p53R175H structural mutants, IC50s of 0.18 μM ( SK-BR-3), 0.35 μM (HuCCT1), respectively. |
| Animal Protocol |
Animal/Disease Models: Xenograft model with HuCCT1 (p53R175H) cells in mouse[1] ] Doses: 0.35 mM with 100 μL (DMSO solution) Route of Administration: Injected intratumpo (oral gavage) daily; 13 days; tested tumor growth at 1, 3, 5, 7, 9, 13 days Experimental Results: Inhibited tumor growth without lowing body weight of mouse. |
| References |
[1]. Colletofragarone A2 Inhibits Cancer Cell Growth In Vivo and Leads to the Degradation and Aggregation of Mutant p53. Chem Res Toxicol. 2022 Aug 26. |
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 | 2.5877 mL | 12.9386 mL | 25.8772 mL | |
| 5 mM | 0.5175 mL | 2.5877 mL | 5.1754 mL | |
| 10 mM | 0.2588 mL | 1.2939 mL | 2.5877 mL |