Physicochemical Properties
| Molecular Formula | C25H33FO3 |
| Molecular Weight | 400.53 |
| Appearance | Typically exists as solid 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 | IC50: 0.39 μM (Hsp90); 17.65 μM (MCF-7); 20.03 μM (SW480); ＞40 μM (A549); 3.69 μM (HL60); 11.92 μM (SMMC-7721)[1] |
| ln Vitro | HSP90-IN-18, with an IC50 value of 0.39 μM, exhibits strong Hsp90 inhibitory activity[1]. With IC50 values of 17.65 μM, 20.03 μM, and > 40 μM, 3.69 μM, and 11.92 μM, HSP90-IN-18 (40, 8, 1.6, 0.32, 0.064 μM; 48 h) has anti-proliferative action against MCF-7, SW480, A549, HL60, and SMMC-7721[1]. HL-60 cell apoptosis is promoted by HSP90-IN-18 (0, 1, 5, 10, 20 μM; 12–16 h) via the mitochondria-mediated apoptosis pathway [1]. |
| ln Vivo | HSP90-IN-18 (ip; 100 mg/kg; for 14 days) has minimal acute toxicity in mice and suppresses tumor growth in the H22 tumor-bearing mouse model [1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: HL-60, A549, SMMC7721, MCF-7 and SW480 cell lines Tested Concentrations: 40, 8, 1.6, 0.32, 0.064 μM Incubation Duration: 48 h Experimental Results: demonstrated much better anti-proliferation activities in five cancer cell lines, especially against human leukocyte cell line. Apoptosis Analysis[1] Cell Types: HL-60 cells Tested Concentrations: 0, 1, 5, 10, 20 μM Incubation Duration: 12-16 h Experimental Results: Promoted the apoptosis of HL-60 cells. Western Blot Analysis[1] Cell Types: HL-60 cells Tested Concentrations: 0, 1, 5, 10 μM Incubation Duration: 24 h Experimental Results: demonstrated the expression of Bcl2 was Dramatically decreased, while Bax was increased. |
| Animal Protocol |
Animal/Disease Models: Kunming Mice (female; 18–20g)[1] Doses: 100 mg/kg Route of Administration: intraperitoneal (ip)administration for 14 days Experimental Results: demonstrated normal behavior and feeding habits without any signs of toxicity and demonstrated low acute toxicity (LD50 > 500 mg/kg). |
| References |
[1]. Design, synthesis and biological evaluation of a new class of Hsp90 inhibitors vibsanin C derivatives. Eur J Med Chem. 2022 Dec 15;244:114844. |
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 | 2.4967 mL | 12.4835 mL | 24.9669 mL | |
| 5 mM | 0.4993 mL | 2.4967 mL | 4.9934 mL | |
| 10 mM | 0.2497 mL | 1.2483 mL | 2.4967 mL |