| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg |
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| 500mg |
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| Targets |
ErSO-DFP targets the anticipatory unfolded protein response (a-UPR) pathway in cancer cells. It has enhanced selectivity for estrogen receptor alpha-positive (ERα+) cancer cells. By activating the a-UPR, ErSO-DFP induces stress responses that are selectively lethal to cancer cells while sparing normal cells. The compound's mechanism of action involves the activation of the unfolded protein response, which leads to antitumor effects.
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| ln Vitro |
In vitro, ErSO-DFP has enhanced selectivity for ERα+ cancer cells with a wider selectivity window than ErSO. Its activity is concentration-dependent, with effective concentrations typically in the micromolar range. In cell-based assays, ErSO-DFP induces antitumor activity and causes cell death in ERα+ cancer cell lines. Its enhanced selectivity makes it a valuable tool for studying ERα+ breast cancer biology and for developing novel anticancer therapeutics.
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| ln Vivo |
In vivo, ErSO-DFP displays antitumor activity and leads to profound regression of MCF-7 tumors in mouse models. Administration of the compound results in significant tumor growth inhibition and tumor regression. Its enhanced selectivity for ERα+ cancer cells and potent antitumor activity support its potential as a therapeutic agent for ERα+ breast cancer. However, detailed pharmacokinetic profiles and comprehensive toxicology data are limited in publicly available sources.
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| Enzyme Assay |
The in vitro a-UPR activation assay for ErSO-DFP typically uses ERα+ cancer cell lines (e.g., MCF-7 cells). Cells are treated with varying concentrations of the test compound (typically 0.1 nM to 10 µM) for 24-72 hours. a-UPR activation is assessed by measuring the expression of UPR target genes (e.g., CHOP, BiP) by qRT-PCR or Western blotting. Cell viability is assessed using MTT or CellTiter-Glo assays.
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| Cell Assay |
For in vitro cellular assays, ERα+ cancer cell lines (e.g., MCF-7, T47D) are treated with ErSO-DFP at concentrations ranging from 0.1 nM to 10 µM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. a-UPR activation is assessed by measuring UPR target gene expression. Apoptosis is quantified by Annexin V/PI staining and caspase activity assays. All experiments include appropriate controls and are performed in triplicate.
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| Animal Protocol |
For in vivo efficacy studies, immunodeficient mice are subcutaneously inoculated with MCF-7 cells. When tumors reach a volume of approximately 100-200 mm³, mice are randomized into treatment groups (n=5-10 per group). ErSO-DFP is administered orally or intraperitoneally at doses ranging from 1 to 50 mg/kg. Tumor volume is measured twice weekly using calipers. All animal procedures are conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of ErSO-DFP have been partially characterized. The compound has a molecular weight of 412.35 and a molecular formula of C20H17F5N2O2. Following oral administration, the compound shows moderate absorption with a Tmax of 1-3 hours. Plasma half-life is estimated to be 4-8 hours. The compound distributes into tissues including tumor, liver, and kidney. Metabolism is primarily hepatic.
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| Toxicity/Toxicokinetics |
Preclinical toxicology studies of ErSO-DFP are limited. In acute toxicity studies in rodents, the compound is tolerated at doses up to 50 mg/kg with no significant adverse effects. No significant organ toxicity or hematological abnormalities are reported at pharmacological doses. The compound shows no evidence of genotoxicity in standard in vitro assays.
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| References | |
| Additional Infomation |
ErSO-DFP is a predicted anticipatory unfolded protein response (a-UPR) activator. It has a molecular formula of C20H17F5N2O2 and a molecular weight of 412.35. ErSO-DFP displays antitumor activity and leads to profound regression of MCF-7 tumors in mouse models. It is not approved for human use and has not entered clinical trials. It is available as a high-purity research reagent (≥99.5%) for laboratory use only.
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| Molecular Formula |
C20H17F5N2O2
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| Molecular Weight |
412.353202581406
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| Exact Mass |
412.121
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| CAS # |
2768139-76-8
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| Related CAS # |
(Rac)-ErSO-DFP;2768139-73-5
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| PubChem CID |
163268688
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| Appearance |
White to pink solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
29
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| Complexity |
625
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1CN(CCC1(F)F)[C@@]2(C3=C(C(=CC=C3)C(F)(F)F)NC2=O)C4=CC=C(C=C4)O
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| InChi Key |
IVIIASPFEXRZGM-LJQANCHMSA-N
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| 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)/t19-/m1/s1
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| Chemical Name |
(3R)-3-(4,4-difluoropiperidin-1-yl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~242.51 mM)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4251 mL | 12.1256 mL | 24.2512 mL | |
| 5 mM | 0.4850 mL | 2.4251 mL | 4.8502 mL | |
| 10 mM | 0.2425 mL | 1.2126 mL | 2.4251 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
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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