| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
The target is ERα. (Rac)-ErSO-DFP binds ERα and induces a hyperactive conformation that overactivates the aUPR, leading to ERα degradation and apoptotic cell death in ERα-positive breast cancer cells, including those resistant to endocrine therapy.
|
|---|---|
| ln Vitro |
Compound 2, (Rac)-ErSO-DFP (0.001-1 µM; 24 hours) retains strong antitumor activity in MCF-7 cells, with an IC50 of 35 nM [1].
(Rac)-ErSO-DFP inhibits ERα-positive breast cancer cell viability with IC50 = 35 nM (MCF-7 cells). It induces aUPR activation (e.g., CHOP, BiP) and apoptosis, with efficacy in tamoxifen-resistant and ESR1-mutant models. |
| ln Vivo |
(Rac)-ErSO-DFP (Compound 2) (5 mg/kg; i.v.; 3xq.wk.) showed sustained action against ERα+ breast cancer at low dosages [1].
No standard in vivo efficacy data are publicly established for the racemate. ErSO-DFP-class compounds show tumor growth inhibition in ERα-positive xenograft models; compound-specific animal datasets are limited, and it remains a preclinical tool. |
| Enzyme Assay |
ERα binding is measured using recombinant ERα ligand-binding domain and a fluorescent estrogen probe in a competitive binding assay; (Rac)-ErSO-DFP is titrated, and IC50 values are derived.
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: MCF-7 Cell Tested Concentrations: 0.001-1 µM Incubation Duration: 24 hrs (hours) Experimental Results: Displayed sustained anticancer activity with IC50 of 35 nM. aUPR activation is assessed by immunoblotting for CHOP, BiP, and phospho-eIF2α in ERα-positive breast cancer cells treated with the compound. ERα-positive breast cancer cells (e.g., MCF-7, tamoxifen-resistant derivatives) are treated with (Rac)-ErSO-DFP; viability is measured by CellTiter-Glo, and aUPR markers, ERα degradation, and apoptosis (PARP cleavage, annexin V) are assessed. |
| Animal Protocol |
Animal/Disease Models: Castrated Nu/J mice (MCF-7 orthotopic tumor model) [1].
Doses: 5 mg/kg Route of Administration: intravenous (iv) (iv)injection; once a week for a total of 3 doses. Experimental Results: The ability to regress MCF-7 tumors was maintained in an ERα+ breast cancer mouse model. No standardized animal protocol is published. If evaluated, ovariectomized mice bearing ERα-positive xenografts would receive the compound orally; tumor volume, ERα levels, and aUPR markers would be measured, but published in vivo datasets are insufficient. |
| References |
| Exact Mass |
412.121
|
|---|---|
| CAS # |
2768139-73-5
|
| Related CAS # |
ErSO-DFP;2768139-76-8
|
| PubChem CID |
163268685
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
29
|
| Complexity |
625
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CN(CCC1(F)F)C2(C3=C(C(=CC=C3)C(F)(F)F)NC2=O)C4=CC=C(C=C4)O
|
| InChi Key |
IVIIASPFEXRZGM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H17F5N2O2/c21-18(22)8-10-27(11-9-18)19(12-4-6-13(28)7-5-12)14-2-1-3-15(20(23,24)25)16(14)26-17(19)29/h1-7,28H,8-11H2,(H,26,29)
|
| Chemical Name |
3-(4,4-difluoropiperidin-1-yl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
|
| 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)
|
| 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
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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.) |
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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