Physicochemical Properties
| Molecular Formula | C32H37F9N4O3S |
| Molecular Weight | 728.71 |
| CAS # | 2991504-90-4 |
| 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=6.7 nM, DC50=0.4 nM |
| ln Vitro | Estrogen receptormodulator 10 (20-100 nM, 2-48 h) degrades cellular ER later in MCF-7 cells than in T47D cells and significantly reduces ER activity in T47D cells in a dose-dependent manner [1]. Progesterone receptor (PgR), growth regulation by estrogen in breast cancer 1 (GRBE1), and TFF-1 (trefoil factor 1) are all produced in MCF-7 and T47D cells at lower levels when exposed to 10 nM of estrogen receptor modulator 10 for a 24-hour period. expression [1]. In MCF-7 cells, estrogen receptormodulator 10 (4–100 nM, 24 h) can cause apoptosis and markedly increase caspase-3 and caspase-9 activities [1]. Estrogen receptormodulator 10 (4-100 nM, 24 h) can inhibit the expression of G1/G0 phase proteins in MCF-7 cells [1]. Estrogen receptormodulator 10 (0.2-1 nM, 6 d) significantly inhibited the proliferation of MCF-7 and T47D cells mediated by E2 [1]. Estrogen receptormodulator 10 (4-100 nM, 24 h) significantly reduces cell migration and proliferating cell nuclear antigen levels in MCF-7 cells [1]. Estrogen receptormodulator 10 (20-100 nM, 24 h) reduced ER in the cytoplasm and nucleus in MCF-7 cells and promoted the transfer of ER from the nucleus to the cytoplasm. ER is rapidly degraded through the proteasome pathway without affecting the expression of corresponding mRNA [1]. |
| ln Vivo | In female Sprague-Dawley mice, estrogen receptormodulator 10 (30 mg/kg, intramuscular (im), single dosage) exhibits favorable pharmacokinetic qualities[1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: T47D, MCF-7 Tested Concentrations: 100 nM Incubation Duration: 24 h Experimental Results: Dramatically diminished the activity of ER in a dose-dependent manner. RT-PCR[1] Cell Types: T47D, MCF -7 Tested Concentrations: 10 nM Incubation Duration: 24 h Experimental Results: Had antagonistic activity against ER signaling. Cell Cycle Analysis[1] Cell Types: MCF-7 Tested Concentrations: 4 nM, 20 nM, 100 nM Incubation Duration: 24 h Experimental Results: Blocked cells in the G1/G0 phase with a dose-dependent manner. Cell Proliferation Assay[1] Cell Types: T47D, MCF-7 Tested Concentrations: 0.2 nM for MCF-7 cells 1 nM for T47D cells Incubation Duration: 6 d Experimental Results: Could selectively inhibit the proliferation and migration of ER-positive breast cancer cells without affecting ER-negative ones. Cell Proliferation Assay[1] Cell Types: T74DWT, T74DY537S, T74DD538G Tested Concentrations: 2.21 nM for T74DWT 5.94 nM for T74DY537S 58.57 nM for T74DD538G Incubation Duration: 5 d Experimental Results: Inhibited mutant cell proliferation in a dose-dependent manner. |
| Animal Protocol |
Animal/Disease Models: Female SD (Sprague-Dawley) Rats[1] Doses: 30 mg/kg Route of Administration: intramuscular (im) injection, single dose Experimental Results: demonstrated apparent distribution volume (Vz_F_obs≈1600 L) was nearly 1.3 times smaller than that of fulvestrant (Vz_F_obs ≈2100 L), and most drugs could be widely distributed from blood to target tissues and organs. |
| References | [1]. Bingsi Wang, et al.A novel scaffold long-acting selective estrogen receptor antagonist and degrader with superior preclinical profile against ER+ breast cancer,European Journal of Medicinal Chemistry,2023. |
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 | 1.3723 mL | 6.8614 mL | 13.7229 mL | |
| 5 mM | 0.2745 mL | 1.3723 mL | 2.7446 mL | |
| 10 mM | 0.1372 mL | 0.6861 mL | 1.3723 mL |