| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
The primary target of (S)-TXNIP-IN-1 is the TXNIP-TRX (thioredoxin-interacting protein-thioredoxin) complex, though it is the less active enantiomer compared to its counterpart. TXNIP binds to and inhibits the antioxidant protein thioredoxin (TRX), leading to increased oxidative stress and activation of pathways that promote inflammation and apoptosis. Inhibition of the TXNIP-TRX interaction by TXNIP-IN-1 molecules is a promising therapeutic strategy for diabetes and cardiovascular disease. (S)-TXNIP-IN-1 is valuable as a control for studying specific enantiomer effects in this pathway.
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| ln Vitro |
In vitro, (S)-TXNIP-IN-1 is the less active S-enantiomer of the racemic TXNIP-TRX complex inhibitor TXNIP-IN-1. While the specific IC₅0 value for (S)-TXNIP-IN-1 is less potent than the active enantiomer, it is used in biochemical research to study the role of TXNIP in cellular redox signaling, oxidative stress, and metabolic disorders. The compound can block TXNIP activity, which helps reduce oxidative stress and modulate metabolic signaling pathways linked to diabetes, cardiovascular dysfunction, and neurodegeneration. By studying both enantiomers, researchers can evaluate stereospecificity of TXNIP-TRX complex inhibition.
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| ln Vivo |
Detailed in vivo data specific to (S)-TXNIP-IN-1 are limited, as it is typically used as a less active control for the more potent enantiomer. However, TXNIP-IN-1 (the racemic mixture or active enantiomer) has shown efficacy in animal models of diabetes, cardiovascular disease, and inflammation. (S)-TXNIP-IN-1 can be used alongside the active enantiomer to confirm target specificity. The compound can be formulated for in vivo studies using 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% Saline, or 10% DMSO + 90% corn oil. Further studies are required to establish its pharmacokinetic profile.
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| Enzyme Assay |
For receptor binding assays to assess TXNIP-TRX complex inhibition, use recombinant TXNIP and TRX proteins in a fluorescence polarization (FP) or AlphaScreen assay. Incubate purified TRX (50 nM) with increasing concentrations of (S)-TXNIP-IN-1 (0.01-100 uM) in assay buffer (50 mM Tris-HCl pH 8.0, 150 mM NaCl, 1 mM EDTA, 0.1% BSA, 0.01% Tween-20) for 30 min at room temperature. Add fluorescently labeled TXNIP (or competitor) and incubate for an additional 30-60 min. Measure fluorescence polarization. Alternatively, use surface plasmon resonance (SPR) by immobilizing TRX on a sensor chip and flowing TXNIP and compound. For cellular target engagement, perform pull-down assays using biotinylated TXNIP-IN-1 analogs and streptavidin beads, followed by Western blot for TRX.
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| Cell Assay |
Culture cells relevant to metabolic disorders such as human HepG2 (hepatoma), primary human hepatocytes, or 3T3-L1 adipocytes in DMEM with 10% FBS at 37degC with 5% CO2. For high glucose-induced oxidative stress models, culture cells in medium containing 25-30 mM glucose for 24-72 h. Treat cells with (S)-TXNIP-IN-1 or TXNIP-IN-1 (0.1-50 uM) for 24-72 h. Assess TXNIP-TRX complex formation by co-immunoprecipitation: lyse cells in non-denaturing buffer, immunoprecipitate TXNIP using specific antibody, and detect TRX by Western blot. Measure oxidative stress markers: DCFH-DA for ROS production, GSH/GSSG ratio, and MDA levels. Assess apoptosis by caspase-3/7 activity, TUNEL staining, or Annexin V/PI flow cytometry. For inflammatory markers, measure IL-1beta, IL-18, TNFalpha release by ELISA, and NLRP3 inflammasome activation by detecting cleaved caspase-1 and ASC oligomerization. Evaluate glucose uptake using 2-NBDG fluorescence and insulin signaling via Western blot for p-AKT, p-IRS.
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| Animal Protocol |
For in vivo studies, use C57BL/6J mice (8-12 weeks, 20-25 g) in models of metabolic or cardiovascular disease. For diabetes models, induce type 2 diabetes with high-fat diet (60% kcal from fat) for 12-16 weeks plus low-dose streptozotocin (STZ, 40-50 mg/kg i.p.) or use db/db or ob/ob mice. Administer (S)-TXNIP-IN-1 or TXNIP-IN-1 (5-50 mg/kg) daily via intraperitoneal (i.p.) injection or oral gavage (if suitable formulation available). Formulate compound in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% Saline. Monitor blood glucose weekly using glucometer. Perform oral glucose tolerance test (OGTT) and insulin tolerance test (ITT) at study weeks 2 and 4. At study endpoint (4-8 weeks), collect blood for HbA1c, insulin, C-peptide, and lipid profile. Harvest pancreas for insulin staining and beta-cell mass quantification. Assess cardiac function in cardiovascular models by echocardiography. Collect liver, adipose tissue, and kidney for histology (H&E, Oil Red O, Picrosirius red for fibrosis) and for measurement of oxidative stress (MDA, GSH) and inflammatory cytokines (qPCR, ELISA).
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| References | |
| Additional Infomation |
(S)-TXNIP-IN-1 is the less active S-enantiomer of TXNIP-IN-1, a TXNIP-TRX complex inhibitor. TXNIP is an endogenous inhibitor of the antioxidant protein thioredoxin (TRX), and its upregulation under conditions of cellular stress (high glucose) leads to oxidative stress, NLRP3 inflammasome activation, and apoptosis. Inhibiting the TXNIP-TRX interaction is a promising therapeutic strategy for diabetes, cardiovascular disease, and inflammatory disorders. (S)-TXNIP-IN-1 serves as an important control to validate the stereospecificity of TXNIP inhibition and to study the enantiomer-specific effects of TXNIP-targeting compounds. The compound has not progressed to clinical trials and is not FDA-approved. It remains a research tool for studying redox biology, metabolic disease mechanisms, and oxidative stress-driven pathologies.
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| Molecular Formula |
C₁₂H₁₂N₂O₄
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|---|---|
| Molecular Weight |
248.23
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| Exact Mass |
248.079
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| CAS # |
1212421-96-9
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| Related CAS # |
TXNIP-IN-1;1268955-50-5
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| PubChem CID |
28284192
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| Appearance |
White to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
443.5±25.0 °C at 760 mmHg
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| Flash Point |
222.0±23.2 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.602
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| LogP |
0.93
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
18
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| Complexity |
394
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| Defined Atom Stereocenter Count |
1
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| SMILES |
OC([C@H](C(C)C)N1C(C2C=NC=CC=2C1=O)=O)=O
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| InChi Key |
KTDYLXVLROCGRL-VIFPVBQESA-N
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| InChi Code |
InChI=1S/C12H12N2O4/c1-6(2)9(12(17)18)14-10(15)7-3-4-13-5-8(7)11(14)16/h3-6,9H,1-2H3,(H,17,18)/t9-/m0/s1
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| Chemical Name |
(2S)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
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| Synonyms |
(S)TXNIPIN1; (S) TXNIP IN 1
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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, avoid exposure to moisture. |
| 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 (~402.85 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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: ≥ 2.5 mg/mL (10.07 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.07 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 | 4.0285 mL | 20.1426 mL | 40.2852 mL | |
| 5 mM | 0.8057 mL | 4.0285 mL | 8.0570 mL | |
| 10 mM | 0.4029 mL | 2.0143 mL | 4.0285 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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