| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg | |||
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| Targets |
The primary target of IDO-IN-3 is indoleamine 2,3-dioxygenase 1 (IDO1), an enzyme that catalyzes the oxidative cleavage of tryptophan to N-formylkynurenine, the first and rate-limiting step in the kynurenine pathway of tryptophan metabolism. IDO1 is an immunomodulatory enzyme that plays a critical role in immune tolerance by depleting tryptophan and producing immunomodulatory kynurenines. IDO1 is overexpressed in many cancers and contributes to immune evasion by suppressing T cell responses. IDO-IN-3 inhibits IDO1 with an IC₅0 of 290 nM and shows potent cellular activity with an IC₅0 of 98 nM in HeLa cells.
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| ln Vitro |
IDO-IN-3 (compound 4c) is a strong (HeLa IC50=98 nM) IDO inhibitor [1].
In vitro studies have demonstrated that IDO-IN-3 is a potent IDO inhibitor with an IC₅0 of 290 nM. The compound shows even more potent activity in HeLa cells with an IC₅0 of 98 nM. IDO-IN-3 is used in cellular assays to study the role of IDO in immune regulation and cancer biology. By inhibiting IDO activity, the compound can reverse the immunosuppressive effects of IDO overexpression, restoring T cell proliferation and function. IDO-IN-3 supports in vitro and cellular investigations of metabolic-immune crosstalk and evaluation of IDO-targeted immunomodulatory strategies. The compound's activity is typically assessed by measuring kynurenine production in cell culture supernatants. |
| ln Vivo |
In vivo studies of IDO-IN-3 are likely focused on evaluating its immunomodulatory effects in animal models of cancer and inflammation. As an IDO inhibitor, the compound could reverse IDO-mediated immune suppression and enhance anti-tumor immune responses. IDO-IN-3 may be used in combination with other immunotherapies, such as immune checkpoint inhibitors, to improve therapeutic efficacy. The compound is widely used as a research tool to study immune evasion mechanisms, tumor immunology, and inflammatory regulation. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic profiles and to evaluate its potential as an immunotherapeutic agent.
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| Enzyme Assay |
For in vitro enzyme/receptor binding assays, IDO-IN-3 is typically evaluated using enzymatic activity assays that measure IDO1-mediated conversion of tryptophan to N-formylkynurenine. The compound is incubated with recombinant IDO1 enzyme, tryptophan, and appropriate cofactors (such as methylene blue and catalase) at various concentrations. The reaction product, kynurenine, is quantified by spectrophotometric or fluorometric methods, typically by measuring absorbance at 321 nm after reaction with Ehrlich's reagent (p-dimethylaminobenzaldehyde). IC₅0 values are determined from dose-response curves. Selectivity profiling against other enzymes, such as tryptophan 2,3-dioxygenase (TDO2), may be performed to confirm specificity.
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| Cell Assay |
For in vitro cellular experiments, IDO-IN-3 is typically tested in cells that express IDO1, such as HeLa cells or other cancer cell lines induced to express IDO by interferon-gamma (IFN-gamma) stimulation. Cells are cultured in appropriate media and treated with various concentrations of the compound (typically ranging from nanomolar to micromolar) along with IFN-gamma to induce IDO expression. IDO activity is measured by quantifying kynurenine levels in the culture supernatant using colorimetric or HPLC-based methods. Cell viability and cytotoxicity are assessed using standard assays to ensure that observed effects are due to IDO inhibition rather than non-specific toxicity. The compound's effects on T cell proliferation can be assessed in co-culture systems.
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| Animal Protocol |
For in vivo animal experiments, IDO-IN-3 can be administered to tumor-bearing mice via various routes including oral gavage, intravenous injection, or intraperitoneal injection. Syngeneic mouse tumor models that express IDO1 are commonly used to evaluate the immunomodulatory and antitumor effects of IDO inhibition. Typical dosing regimens may range from 1 to 100 mg/kg administered daily or intermittently. Tumor volume is measured regularly, and tumor growth inhibition is calculated. Immune cell infiltration and activation in tumors can be assessed by flow cytometry and immunohistochemistry. Kynurenine levels in plasma and tumor tissues can be measured as pharmacodynamic markers. Body weight and overall health are monitored.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of IDO-IN-3 are not extensively detailed in the public literature. As a small molecule with a molecular weight of 359.15 g/mol, it may have reasonable oral bioavailability and tissue distribution. The presence of bromine and fluorine atoms may influence its metabolic stability and clearance. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies in relevant animal models. The compound's protein binding, metabolism, and excretion pathways remain to be fully characterized. Formulation development may be necessary for optimal in vivo administration.
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| Toxicity/Toxicokinetics |
Toxicological data for IDO-IN-3 are limited, as the compound is primarily a research tool. Preliminary studies suggest that IDO-IN-3 is effective at inhibiting IDO activity in cells at concentrations that are well-tolerated. However, comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. As an IDO inhibitor, potential on-target effects related to tryptophan metabolism and immune modulation should be considered. Appropriate safety precautions should be taken when handling this compound, including the use of personal protective equipment and adherence to institutional safety guidelines.
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| References | |
| Additional Infomation |
IDO-IN-3 is a research compound used to study IDO biology and evaluate IDO-targeted immunomodulatory strategies. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound's potent IDO inhibition (IC₅0 = 290 nM) and cellular activity (HeLa IC₅0 = 98 nM) make it a valuable tool for investigating the role of IDO in immune evasion, tumor immunology, and inflammatory regulation. IDO-IN-3 supports in vitro and cellular investigations of metabolic-immune crosstalk.
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| Molecular Formula |
C11H12BRFN6O2
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| Molecular Weight |
359.154383659363
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| Exact Mass |
358.018
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| CAS # |
2070018-30-1
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| PubChem CID |
136898218
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| Appearance |
White to off-white solid powder
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
21
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| Complexity |
364
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1N=C(NCCN)C(C(NO)=NC2=CC=C(F)C(Br)=C2)=N1
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| InChi Key |
DAPNMIADTFAXEG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H12BrFN6O2/c12-7-5-6(1-2-8(7)13)16-11(17-20)9-10(15-4-3-14)19-21-18-9/h1-2,5,20H,3-4,14H2,(H,15,19)(H,16,17)
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| Chemical Name |
4-(2-aminoethylamino)-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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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 : ~27.5 mg/mL (~76.57 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 | 2.7844 mL | 13.9218 mL | 27.8435 mL | |
| 5 mM | 0.5569 mL | 2.7844 mL | 5.5687 mL | |
| 10 mM | 0.2784 mL | 1.3922 mL | 2.7844 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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