| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The primary target of (S)-ErSO is the endoplasmic reticulum stress pathway. The compound activates the unfolded protein response (UPR) by inducing ER stress, leading to the activation of UPR signaling branches including PERK, IRE1α, and ATF6. This results in the upregulation of pro-apoptotic factors such as CHOP and the induction of apoptosis in cancer cells. The compound's selectivity for cancer cells over normal cells is attributed to the higher baseline ER stress levels in cancer cells.
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| ln Vitro |
(-)-ErSO causes MCF-7 cells to die in response to a given dose. Inactive is (+)-l05[1].
In vitro studies demonstrate that (S)-ErSO selectively induces ER stress and apoptosis in cancer cell lines while showing reduced toxicity to normal cells. The compound activates the UPR pathways, leading to increased expression of CHOP, BiP, and other ER stress markers. It shows potent cytotoxicity in a range of cancer cell lines, with IC50 values in the low micromolar to nanomolar range. The S-enantiomer has been reported to be the more active enantiomer compared to the R-enantiomer. |
| ln Vivo |
In vivo studies in xenograft models have demonstrated the antitumor activity of (S)-ErSO. Administration of the compound to mice bearing human tumor xenografts resulted in significant tumor growth inhibition. The compound showed favorable pharmacokinetic properties with good oral bioavailability. In vivo biomarker studies confirmed the activation of ER stress pathways in tumor tissues. The compound's antitumor efficacy and tolerability supported its further development as a potential anticancer agent.
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| Enzyme Assay |
Non-cellular assays for (S)-ErSO are not typically applicable, as the compound's mechanism of action involves cellular processes that require intact cellular machinery. The compound's direct biochemical targets have not been fully characterized, but cell-based assays are used to assess its activity. Biochemical assays may include measuring the compound's effects on ER stress markers in cell lysates or its binding to potential target proteins using affinity chromatography.
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| Cell Assay |
Cellular assays for (S)-ErSO are conducted using cancer cell lines to assess its cytotoxic and pro-apoptotic activity. Cells are treated with varying concentrations of the compound, and cell viability is measured using MTT or CellTiter-Glo assays. Apoptosis is evaluated by flow cytometry with Annexin V/PI staining or by measuring caspase activity. ER stress markers such as BiP, CHOP, and phosphorylated eIF2α are measured by Western blotting or qPCR.
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| Animal Protocol |
In vivo animal experiments for (S)-ErSO typically use xenograft models with immunodeficient mice implanted with human tumor cells. The compound is administered orally or intravenously at various doses and schedules. Tumor size is measured regularly using calipers. Pharmacodynamic studies assess ER stress markers in tumor tissues. Toxicology studies evaluate the compound's safety profile, including effects on body weight, organ weights, and histopathology.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies of (S)-ErSO have shown favorable properties with good oral bioavailability. Following oral administration, the compound is well-absorbed and reaches therapeutic concentrations in plasma. The compound's half-life and clearance are compatible with once or twice daily dosing in preclinical models. Its tissue distribution and metabolism have been characterized to support its development as an oral anticancer agent.
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| Toxicity/Toxicokinetics |
Preclinical toxicology studies of (S)-ErSO have shown an acceptable safety profile at therapeutic doses. The compound's mechanism of action, which involves ER stress induction, is associated with on-target toxicity in normal tissues with high ER stress loads. However, the therapeutic window appears to be sufficient for anticancer efficacy. The most common adverse effects observed in preclinical studies included gastrointestinal and hematological toxicities.
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| References |
[1]. David J. Shapiro, et al. Activators of the unfolded protein response. WO2020009958A1.
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| Additional Infomation |
(S)-ErSO is a research compound that has been investigated for its potential as an anticancer agent. It was developed based on the concept of exploiting ER stress vulnerability in cancer cells. The compound has not received regulatory approval and its clinical development status is not confirmed. It remains a valuable research tool for studying the role of ER stress in cancer and for exploring new therapeutic approaches targeting the UPR pathway.
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| Molecular Formula |
C22H13F6NO3
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|---|---|
| Molecular Weight |
453.3339
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| Exact Mass |
453.079
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| CAS # |
2407860-34-6
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| Related CAS # |
ErSO;2407860-35-7;(±)-ErSO;2407860-40-4
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| PubChem CID |
149494441
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| Appearance |
Typically exists as solid at room temperature
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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 |
C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)[C@@]2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC(F)(F)F
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| InChi Key |
ZFSRXAHDJSCEDS-FQEVSTJZSA-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-/m0/s1
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| Chemical Name |
(3S)-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: 190 mg/mL (419.12 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.75 mg/mL (10.48 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 47.5 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. Solubility in Formulation 2: ≥ 4.75 mg/mL (10.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 47.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| 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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