| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
GSTO-IN-2 targets glutathione S-transferase (GST) isozymes, including GSTA2, GSTM1, and GSTP1-1. GSTs are a family of phase II detoxification enzymes that catalyze the conjugation of glutathione to electrophilic substrates, facilitating the excretion of xenobiotics and endogenous toxins. Overexpression of GSTs in cancer cells is associated with resistance to chemotherapeutic agents, as these enzymes can detoxify anticancer drugs. GSTO-IN-2 inhibits multiple GST isozymes with varying potencies: IC50 values of 3.6 μM for GSTA2, 16.3 μM for GSTM1, and 1.4 μM for GSTP1-1. By inactivating GSTs, GSTO-IN-2 can overcome drug resistance and enhance the efficacy of chemotherapy drugs.
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| ln Vitro |
In Ref, chemical 3 is GSTO-IN-2. By deactivating the GST isoenzyme, GSTO-IN-2 demonstrated synergy with chemotherapeutic medicines against two cell lines of breast cancer. At 50 μM GSTO-IN-2, the maximum reduction in cisplatin-induced cell viability was noted, reaching up to 640% in comparison with MCF-7 and up to 270% in comparison with MDA-MB-231. The activity-inhibitory action of thiotepa is enhanced by GSTO-IN-2 (25 and 50 μM), which can inhibit MCF-7 by up to 170-320% and MDA-MB-231 by up to 180-270%. [1].
GSTO-IN-2 demonstrates potent in vitro activity against multiple GST isozymes. The compound shows synergistic effects with chemotherapy drugs against two breast cancer cell lines, MCF-7 and MDA-MB-231, through the inactivation of GST isozymes. The maximal enhancement of cisplatin-induced inhibition of cell viability is observed at 50 μM GSTO-IN-2, up to 640% against MCF-7 and up to 270% against MDA-MB-231. Viability inhibition of thiotepa is enhanced by GSTO-IN-2 (25 and 50 μM), up to 170-320% against MCF-7 and up to 180-270% against MDA-MB-231. These findings demonstrate the potential of GSTO-IN-2 to sensitize cancer cells to chemotherapy by inhibiting GST-mediated detoxification. |
| ln Vivo |
In vivo efficacy data for GSTO-IN-2 are not extensively documented in publicly available sources. However, based on its in vitro activity and the established role of GSTs in drug resistance, GSTO-IN-2 is expected to have potential utility in combination with chemotherapy in preclinical cancer models. The compound's ability to enhance the efficacy of cisplatin and thiotepa in breast cancer cell lines suggests that it could be evaluated in xenograft models to assess its ability to overcome drug resistance in vivo. GSTO-IN-2 is a valuable tool for studying the role of GSTs in tumor drug resistance and for validating GST inhibition as a strategy to enhance chemotherapy efficacy. Further in vivo studies are needed to fully characterize the compound's therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for GSTO-IN-2 measures the inhibition of GST enzymatic activity. Recombinant human GST isozymes (GSTA2, GSTM1, and GSTP1-1) are incubated with varying concentrations of GSTO-IN-2 (typically ranging from nanomolar to micromolar) in the presence of glutathione and a substrate such as 1-chloro-2,4-dinitrobenzene (CDNB). The enzymatic reaction is monitored spectrophotometrically by measuring the increase in absorbance at 340 nm resulting from the conjugation of glutathione to CDNB. IC50 values are determined by fitting dose-response curves to the inhibition data. The compound is dissolved in DMSO and diluted in assay buffer to achieve the desired final concentrations, with DMSO concentration kept constant across all wells. Appropriate positive controls (known GST inhibitors) and negative controls (DMSO vehicle) are included in each assay run.
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| Cell Assay |
The in vitro cellular assay for GSTO-IN-2 is performed using breast cancer cell lines such as MCF-7 (estrogen receptor-positive) and MDA-MB-231 (triple-negative). Cells are cultured in appropriate medium and treated with varying concentrations of GSTO-IN-2 (typically 1-50 μM) alone or in combination with chemotherapy drugs such as cisplatin or thiotepa. Cell viability is assessed after 48-72 hours using assays such as MTT or CellTiter-Glo. The combination index is calculated to evaluate synergistic, additive, or antagonistic effects. The enhancement of chemotherapy-induced cell viability inhibition by GSTO-IN-2 is quantified and compared to chemotherapy alone. Dose-response relationships are established by analyzing cell viability across different compound concentrations.
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| Animal Protocol |
In vivo animal experiments with GSTO-IN-2 are not extensively described in publicly available sources. Based on its in vitro activity, potential in vivo studies would likely use immunocompromised mice bearing human breast cancer xenografts (MCF-7 or MDA-MB-231). Tumor-bearing mice would be randomized into treatment groups receiving GSTO-IN-2 alone, chemotherapy alone, combination therapy, or vehicle control. GSTO-IN-2 would be administered via intraperitoneal (IP) or oral (PO) routes at various doses. Tumor volume would be measured twice weekly, and body weight monitored. At study endpoint, tumors would be harvested for analysis of GST activity, glutathione levels, and markers of apoptosis and proliferation. The combination of GSTO-IN-2 with chemotherapy is expected to enhance antitumor efficacy by inhibiting GST-mediated drug detoxification.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic (PK) parameters for GSTO-IN-2 are not extensively documented in publicly available sources. As a small-molecule inhibitor with a molecular weight of 620.77, the compound is expected to have moderate oral bioavailability. GSTO-IN-2 is soluble in DMSO at 100 mg/mL (161.09 mM). For in vivo administration, the compound would need to be formulated using appropriate vehicles to ensure adequate solubility and stability. The compound should be stored at -20°C in a dry, dark environment for long-term stability. Stock solutions are stable at 0-4°C for up to one month. Detailed PK parameters including half-life, clearance, volume of distribution, and maximum concentration (Cmax) are not available from the current search results and would require consultation of the primary literature.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for GSTO-IN-2 are not extensively documented in publicly available sources. As a research-grade compound, GSTO-IN-2 is intended for laboratory research purposes only and is not approved for human use. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and working in a well-ventilated area. The compound should be stored according to the manufacturer's recommendations to maintain stability and prevent degradation. Comprehensive toxicological profiling (e.g., LD50, maximum tolerated dose, organ-specific toxicity) is not available from the current search results and would require consultation of the primary literature or safety data sheets.
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| References | |
| Additional Infomation |
GSTO-IN-2 is a research compound developed for studying the role of glutathione S-transferases in drug resistance and cancer therapy. The compound inhibits multiple GST isozymes, including GSTA2, GSTM1, and GSTP1-1, with IC50 values of 3.6 μM, 16.3 μM, and 1.4 μM, respectively. GSTO-IN-2 shows synergistic effects with chemotherapy drugs such as cisplatin and thiotepa against breast cancer cell lines, demonstrating the potential of GST inhibition to overcome drug resistance. The compound is not currently in clinical trials nor approved for therapeutic use; it remains an investigational tool compound for preclinical cancer research. GSTO-IN-2 is available from various chemical suppliers for research purposes. Its utility lies in its ability to inactivate GST isozymes and sensitize cancer cells to chemotherapy.
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| Molecular Formula |
C33H52N2O9
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|---|---|
| Molecular Weight |
620.773990631104
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| Exact Mass |
620.367
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| CAS # |
1202710-57-3
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| PubChem CID |
45102203
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| Appearance |
White to off-white solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
44
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| Complexity |
1110
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| Defined Atom Stereocenter Count |
11
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| SMILES |
C[C@]12CC[C@]3([H])[C@]4(CC[C@@H](OC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](N)C(=O)O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)O)C
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| InChi Key |
GEYBDXYFLCDBPT-RHGDXGROSA-N
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| InChi Code |
InChI=1S/C33H52N2O9/c1-18(4-11-28(37)38)22-7-8-23-21-6-5-19-16-20(12-14-32(19,2)24(21)13-15-33(22,23)3)44-31(43)26(17-29(39)40)35-27(36)10-9-25(34)30(41)42/h18-26H,4-17,34H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/t18-,19-,20-,21+,22-,23+,24+,25+,26+,32+,33-/m1/s1
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| Chemical Name |
(2S)-2-amino-5-[[(2S)-3-carboxy-1-[[(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
GSTO-IN-2; GSTO IN2; GSTO IN-2
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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 (~161.09 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.03 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.03 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 25.0 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 | 1.6109 mL | 8.0545 mL | 16.1090 mL | |
| 5 mM | 0.3222 mL | 1.6109 mL | 3.2218 mL | |
| 10 mM | 0.1611 mL | 0.8055 mL | 1.6109 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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