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| 5mg |
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| 25mg |
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| Targets |
ErSO targets the anticipatory unfolded protein response (a-UPR) pathway through estrogen receptor α (ERα). It acts as an activator, inducing strong and sustained cytotoxic activation of the a-UPR in ERα-positive cells. This leads to protein synthesis inhibition and intracellular ATP depletion, resulting in cell death.
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| ln Vitro |
In MCF-7 cells, ErSO (1~1000 nM; 24 h) reduces cell survival with an IC50 value of 20.3 nM [1]. ErSO (1 μM; 24 hours; TYS cells) Quickly destroys ERα ErSO works well on human breast cancer cell lines like TYS and TDG that exhibit both wild-type ERα and the ERαY537S and ERαD538G mutations. Relationship between ErSO activity and estrogen reproduction in fulvestrant and tamoxifen-containing wild-type ERα cells. ERα-positive MCF-7 human breast cancer cells are rapidly killed by ErSO [1].
In vitro, ErSO activates the unfolded protein response (UPR) with an IC50 of 20.3 nM in MCF-7 cells. It inhibits protein synthesis and induces intracellular ATP depletion in T47D cells that express ERα, but not in MDA-MB-231 cells which lack ERα, when used at a concentration of 1 µM. The compound induces rapid and selective necrosis of ERα-positive breast cancer cell lines. |
| ln Vivo |
ErSO (10 or 40 mg/kg; lateral wall; 21 days) eradicated these tumors with >90% decrease in all cases [1]. ErSO (0.5~40 mg/kg; sidewall; 3 weeks) is sufficient to produce a strong response [ErSO (10 and 40 mg/kg; interface; 14 days) induces >10,000-fold regression of luciferase Bioluminescence Theory showed that TYS luciferase-expressing mammary tumors in all five models regressed >100,000-fold (to undetectable amounts) at 14 days compared to vehicle-treated models [1]. ErSO (40 mg/kg; i.p.; 14 days) considerably lowered the load [1]
In vivo activity data for ErSO are not extensively detailed in the available sources. The compound is being investigated for the treatment of ERα-positive breast cancer. Specific in vivo efficacy data in animal models are not provided. |
| Enzyme Assay |
The in vitro receptor binding assay for ErSO involves measuring its activation of the anticipatory unfolded protein response (a-UPR) through estrogen receptor α (ERα). Cells expressing ERα are treated with ErSO, and markers of the UPR (e.g., BiP, CHOP) are measured by Western blotting or qPCR. Cell viability and ATP levels are assessed to determine cytotoxicity.
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| Cell Assay |
Cell viability assay [1]
Cell Types: MCF-7 Cell Tested Concentrations: 1~1000 nM Incubation Duration: 24 hrs (hours) Experimental Results: The IC50 value in MCF-7 cells was 20.3 nM, inhibiting cell viability. Cellular assays are performed using ERα-positive breast cancer cell lines such as T47D and MCF-7. Cells are treated with ErSO at various concentrations, and cell viability is measured using assays such as MTT or ATP-lite. UPR activation is assessed by measuring the expression of UPR markers. ERα-negative cells (e.g., MDA-MB-231) are used as controls. |
| Animal Protocol |
Animal/Disease Models: Nu/J mice [1]
Doses: 10 or 40 mg/kg Route of Administration: Po; ErSO eliminates mutated ERα Breast cancer cell line xenografts and PDX mouse models [1]. 21-day Experimental Results: These tumors were eliminated, with over 90% tumor reduction in all cases. Animal/Disease Models: Mice[1] Doses: 0.5~40 mg/kg Route of Administration: Po; 3 weeks Experimental Results: sufficient to produce a strong response. Animal/Disease Models: Mice[1] Doses: 40 mg/kg Route of Administration: intraperitoneal (ip) injection; 14-day Experimental Results: The burden of metastasis is greatly diminished In vivo animal studies for ErSO are not detailed in the available sources. The compound is being investigated for the treatment of ERα-positive breast cancer, but specific animal models and dosing regimens are not described. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for ErSO are not available in the provided sources. The compound is a small molecule with a molecular weight of 453.33 g/mol. Specific PK parameters such as half-life, bioavailability, and clearance are not reported.
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| Toxicity/Toxicokinetics |
Toxicity data for ErSO are not reported in the available sources. As an investigational compound, it is used for research purposes only. Specific toxicological profiles are not available.
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| References | |
| Additional Infomation |
ErSO is a research compound being investigated for the treatment of ERα-positive breast cancer. It represents a novel approach to targeting ER+ cancers by exploiting a unique stress response pathway. The compound is available from chemical suppliers for research use only.
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| Molecular Formula |
C22H13F6NO3
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|---|---|
| Molecular Weight |
453.333946943283
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| Exact Mass |
453.079
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| CAS # |
2407860-35-7
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| Related CAS # |
(S)-ErSO;2407860-34-6;(±)-ErSO;2407860-40-4
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| PubChem CID |
149494442
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| Appearance |
White to off-white solid powder
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| LogP |
5.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
32
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| Complexity |
682
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| Defined Atom Stereocenter Count |
1
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| SMILES |
FC(C1=CC=CC2=C1NC([C@]2(C1C=CC(=CC=1)O)C1C=CC(=CC=1)OC(F)(F)F)=O)(F)F
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| InChi Key |
ZFSRXAHDJSCEDS-HXUWFJFHSA-N
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| InChi Code |
InChI=1S/C22H13F6NO3/c23-21(24,25)17-3-1-2-16-18(17)29-19(31)20(16,12-4-8-14(30)9-5-12)13-6-10-15(11-7-13)32-22(26,27)28/h1-11,30H,(H,29,31)/t20-/m1/s1
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| Chemical Name |
(3R)-3-(4-hydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-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 : ~120 mg/mL (~264.71 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5.25 mg/mL (11.58 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 52.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 3 mg/mL (6.62 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 3 mg/mL (6.62 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2059 mL | 11.0295 mL | 22.0590 mL | |
| 5 mM | 0.4412 mL | 2.2059 mL | 4.4118 mL | |
| 10 mM | 0.2206 mL | 1.1029 mL | 2.2059 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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